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Recent News
August 2014
  • Former postdoc Jeremy Kua will be returning to University of San Diego as Chair of the Department of Chemistry & Biochemistry, following a year in Singapore helping to establish a new liberal arts college, the Yale-NUS College.
July 2014
  • Patrick Blachly and Vince Metzger both successfully defended their Chemistry PhD theses this month - congratulations!!
  • Alisha Caliman passed her PhD Candidacy Exam and is now beginning to complete her PhD research.
  • Former postdoc Jung-Hsin Lin has been promoted to Full Research Fellow and awarded tenure at Academia Sinica in Taiwan. He is also a professor at National Taiwan University.
June 2014
  • Congratulations to former postdoc Chia-en Chang! She has just been awarded tenure and promoted to Associate Professor of Chemistry at UC Riverside.
  • Congratulations to Olivia Kim, who passed her PhD Candidacy Exam and is now beginning to complete her PhD research.
  • Christopher Lee is a new graduate student in our group, working jointly with Rommie Amaro's group.
  • Former graduate student Morgan Lawrenz is completing her NIH postdoc at Stanford, and will start as a Research Scientist at Amgen in Thousand Oaks, CA, in September.
May 2014
  • Congratulations to Joe Kaus, who passed his PhD Candidacy Exam and is now beginning to complete his PhD research.
  • Mehrnoosh Arrar, who recently completed her PhD in our group, has been awarded a NSF Postdoctoral Research Fellowship in Biology. She is continuing her studies at the University of Buenos Aires.
  • Suryani Lukman, who did research in our group during her PhD studies at Cambridge University, has accepted an Assistant Professorship in Biomedical Engineering at Khalifa University, Abu Dhabi.
April 2014
  • Current undergraduate researcher Kalli Kappel has been awarded an NSF Graduate Fellowship.
  • Our article "Phase-field approach to implicit solvation of biomolecules wuth Coulomb-field approximation," Y Zhao, Y-Y Kwan, J Che, B Li and JA McCammon J.Chem. Phys. 139, 024111 (2013), has been selected by the editiors of JCP as one of the top articles in the area of THEORETICAL METHODS AND ALGORITHMS for 2013. See the link at http://aip-info.org/1ZJX-2BANA-FIJZ3D-ZQD7P-1/c.aspx
  • Former graduate student Kate Rogers has accepted a position with Eli Lilly Pharmaceuticals.
  • Former postdoc Leo Boechi is now Assistant Professor of Mathematics, University of Buenos Aires.
  • Former postdoc Jim Briggs is now Chair of the Department of Biology and Biochemistry, University of Houston.
March 2014
  • Dahlia Goldfeld has been awarded a highly prestigious three-year postdoctoral fellowship from the A.P. Giannini Foundation. A.P. Giannini was the founder of the Bank of America.
  • Former postdoc Rommie Amaro has been awarded early promotion and tenure in UCSD’s Chemistry and Biochemistry department.
  • Yanxiang Zhao, a current postdoctoral fellow in our group and Bo Li’s group at UCSD, has accepted an Assistant Professorship in Mathematics at George Washington University.
  • Pete Kekenes-Huskey, a current postdoctoral fellow in our group, has accepted an Assistant Professorship in Chemistry at the University of Kentucky.
  • Former postdoc Ryosuke Ishizuka has accepted an Assistant Professorship in Chemical Engineering at the University of Osaka.
  • Recent PhD recipient Aaron Friedman is now a Bioinformatics Scientist with Human Longevity, Inc., founded very recently in La Jolla by Craig Venter and colleagues.
  • C&E News Feature on the Nature article describing our Fatty Acid Synthase/Acyl Carrier Protein work: More Info
  • NBCR News Feature on Steffen Lindert and Denis Bucher’s aMD-AMOEBA publication
January 2014
  • Congratulations to Kalli Kappel, a UCSD senior doing research in our group, upon her receipt of the Selma and Robert Silagi Award for Undergraduate Excellence. This Award honors the top graduating undergraduate in the Divisions of Physical and Biological Sciences at UCSD. More information at UCSD's Physics Page
  • Congratulations to Aaron Friedman, who successfully defended his PhD in Biomedical Sciences in November. Aaron subsequently accepted a computational biology position at HLI, a new biotech startup in San Diego.
  • Richard Law is now Vice President of Evotech, a European company that provides drug discovery resources (Evotech Website).
November 2013
  • Congratulations to four former graduate students on their new positions and awards!
    • John Mongan will start as Assistant Professor of Radiology at UCSF in August, 2014.
    • Bill Sinko starts as a full-time Research Scientist at Dart Neurosciences this month.
    • Morgan Lawrenz has been awarded her own NIH postdoctoral fellowship - she is currently in Vijay Pande’s group at Stanford.
    • Paul Gasper has accepted a postdoctoral position at the University of Albany RNA Institute.
  • Congratulations to former postdoc Chia-en Chang, who has been awarded an NSF Career Award! Chia-en is Assistant Professor of Chemistry at the University of California at Riverside.
October 2013
  • Congratulations to Patti Craft, who has been promoted to Administrator Coordinator, a new high-level position within the Howard Hughes Medical Institute.
  • Congratulations to graduate student Alisha Caliman, the Fall 2013 winner of the Peter Kollman Graduate Award in High Performance Computing, given by the ACS COMP Division in conjunction with the National Institute for Computational Sciences (NICS).
  • Congratulations to postdoc Denis Bucher, who has accepted a Research Scientist position in Paris, France with Galapagos NV, a major pharmaceutical company based in Europe. Denis starts his new position in December, 2013.
  • A warm welcome to Ole Andersen, a graduate student at Aarhus University, Denmark, who is a visiting scientist in our group starting October, 2013, for about six months.
August 2013
  • Former postdoc Dimitri Moikis, who is now Professor of Bioengineering at UC Riverside, has received the Carolyn K. McGillvray Memorial Award for Macular Degeneration Research. More Information.
  • We welcome Professor Kyou-Hoon “Q” Han, President of the Korean Protein Society, who is here for his sabbatical, August 2013 – February 2014. Professor Han has appointments in the Department of Bioinformatics, University of Science and Technology, and as Senior Investigator, Biomedical Translational Research Center, Korea Research Institute of Bioscience and Biotechnology.
July 2013
  • Former postdoc Adrian Elcock is now Professor of Biochemistry at the University of Iowa.
  • Former postdoc Kay Hamacher is now Professor of Biology, Computer Science, and Physics, Technical University of Darmstadt.
  • Former postdoc Ben Zhou Lu is now Professor, Institute of Computational Mathematics, Chinese Academy of Sciences, Beijing
  • Former postdoc Tjerk Straatsma is now the Head of Scientific Computing at Oak Ridge National Laboratory: https://www.olcf.ornl.gov/2013/06/06/olcf-announces-new-head-of-scientific-computing/
  • Congratulations to Paul Gasper, who completed his PhD in chemistry & biochemistry in July, 2013!
  • Congratulations to Nuo Wang, who passed her Candidacy Exam, and is now beginning to complete her PhD research.
  • Congratulations to graduate student Joe Kaus, who has been awarded a prestigious scholarship from the Achievement Rewards for College Scientists (ARCS).
June 2013
  • Former graduate student David Minh has accepted an Assistant Professorship in Chemistry at the Illinois Institute of Technology (IIT).
  • Current postdoc Jeff Wereszczynski, who will soon start an Assistant Professorship in Physics – also at IIT – has been awarded an NIH startup grant.
  • Former postdoc Yingkai Zhang has been promoted to Full Professor of Chemistry at New York University.
  • Former postdoc Haluk Resat has accepted an Associate Professorship in Chemical and Bioengineering at Washington State University.
  • Graduate student Mehrnoosh Arrar has received a supplement award to her NSF Predoctoral Fellowship for a summer visit to the University of Stockholm. She will use new molecular simulation methods in the study of ion channels, in the lab of Erik Lindahl.
May 2013
  • Former postdoc Donald Hamelberg has received early tenure and promotion to Associate Professor of Chemistry at Georgia State University.
  • Postdoc Jeff Wereszczynski has accepted an Assistant Professorship in Physics at the Illinois Institute of Technology, in Chicago.
  • Postdoc Andrew Gillette (joint with Mike Holst’s group) has accepted an Assistant Professorship in Mathematics at the University of Arizona.
  • Postdoc Cesar Oliveira has accepted a Research Scientist position at Pfizer in Groton, CT.
January 2013
  • NIH news story about our computer-aided drug discovery work aimed at new antibiotics for deadly strains of Staph aureus
December 2012
  • Congratulations to Patricia Bauler, who completed her PhD in physical chemistry in December, 2012!
  • Levi Pierce, who completed his PhD in physical chemistry in June, has joined Schrodinger, Inc., where he will continue to develop new software tools for computational chemistry.
October 2012
  • Former graduate student Paul de Bakker, who was a faculty member at Harvard Medical School during 2007-2012, has been appointed Professor of Genetic Epidemiology and Bioinformatics at the University of Utrecht in the Netherlands.
August 2012
  • Congratulations to Kate Rogers and Pat Blachly, who both received prestigious scholarships from the Achievement Rewards for College Scientists (ARCS)!
  • Levi Pierce won the best poster award at the Summer Institute of the National Biomedical Computing Resource.
  • Former postdoc Jeremy Kua is one of the founding faculty members of the Yale-NUS College, a new educational collaboration between Yale University and the National University of Singapore.  More information on this venture is at http://www.yale-nus.edu.sg/
  • UCSD’s news story on our breakthrough publication shows how millisecond timescale sampling of protein conformations can be achieved by implementing accelerated Molecular Dynamics on Graphics Processing Units.
June 2012
  • Former postdoc Jeremy Kua, who was recently promoted to Associate Professor at the University of San Diego, has received the Henry Dreyfus Teacher-Scholar Award.
  • Levi Pierce and Bill Sinko successfully defended their PhD theses, in physical chemistry and biomedical sciences, respectively.
  • Pat Blachly and Vince Metzger passed their Candidacy Exams in physical chemistry and biochemistry, respectively, and are now moving into the final stretch in their Ph.D. research.
  • Kalli Kappel won the prize for best biochemistry poster at the sixth annual undergraduate research symposium in UCSD’s Department of Chemistry and Biochemistry.
  • A warm welcome to summer undergraduate visitors Carlos Hernandez (Columbia Univ., math) and Rigney Turnham (New Mexico State Univ., biochem)!
  • Kate Rogers Passed her Candidacy Exam in Biomedical Sciences, and is well on her way to completing her PhD work.
  • Steffen Lindert has been awarded a two-year Postdoctoral Fellowship by the American Heart Association.  Steffen’s research involves molecular and subcellular simulations of cardiomyocyte activity.
May 2012
  • Congratulations to our postdoc Yi Wang, who has accepted an Assistant Professorship in Physics at the Chinese University of Hong Kong.
  • Congratulations to former postdoc Kay Hamacher, who has been awarded tenure as a Professor in the Technical University at Darmstadt (http://www.kay-hamacher.de).
  • Kalli Kappel, one of our undergraduate researchers, has won a summer research scholarship at Columbia University.
April 2012
  • Laura Sagle, who received her Ph.D. in Chemistry in 2005, has accepted a position as Assistant Professor of Chemistry, University of Cincinnati.
  • Suryani Lukman, who worked in our group during 2009, completed her Ph.D. in Chemistry at Cambridge University in 2011. She is now a postdoc in the Bioinformatics Institute, Agency for Science, Technology and Research, Singapore.
  • Dr. Ferran Feixas, from the University of Girona, Spain, has been awarded a two-year fellowship by the Catalan government for postdoctoral study in our group.
  • Dr. Arup Kumar Pathak, from Bhabha Atomic Research Centre, Mumbai, has been awarded the prestigious 2012 Indo-US Research Fellowship for advanced study in our group. This is one of only 30 such awards made by the Indo-US Science & Technology Forum.
January 2012
  • Former grad student Nathan Baker has been elected a Fellow of the American Association for the Advancement of Science. Nathan is Chief Scientist at the Pacific Northwest National Laboratory.
  • PSC's article on our group's work on Chagas disease is available.
  • DSC's article on kinesin movement along microtubules is available.
October 2011
  • Congratulations to Mikolai Fajer, who completed his Ph.D. in physical chemistry! Mikolai will pursue postdoctoral studies with Benoit Roux at the University of Chicago.
  • Double congratulations to former postdoc Rommie Amaro!! Rommie has accepted a faculty position at UCSD in Chemistry and Biochemistry. She has also been selected for the Presidential Early Career Award for Scientists and Engineers, the highest honor bestowed by the United States government on science and engineering professionals in the early stages of their independent research careers. More information can be found at http://www.whitehouse.gov/the-press-office/2011/09/26/president-obama-honors-outstanding-early-career-scientists.
  • Former undergraduate researcher Peter Sims has accepted an Assistant Professorship at Columbia University in the Department of Biochemistry and Molecular Biophysics and the new Department of Systems Biology. After completing his undergraduate work (and three journal publications!) at UCSD in 2004, Peter was an NSF predoctoral fellow in chemistry at Harvard, where he did his PhD and postdoctoral work with Sunney Xie.
August 2011
  • A warm welcome to Professor Peter Tieleman (University of Calgary)! Peter joined the group this month to start a six-month sabbatical visit.
July 2011
  • Congratulations to our group members who have advanced in many ways in recent weeks!
  • Postdocs Ric Baron, Barry Grant, and Zhongming Wang have all accepted tenure-track faculty positions. Ric is joining the Department of Medicinal Chemistry, University of Utah. Barry is joining the new Department of Computational Medicine and Bioinformatics at the University of Michigan. Zhongming is joining the Department of Mathematics, Florida International University.
  • Morgan Lawrenz, completed her Ph.D. in chemistry. Morgan will pursue postdoctoral studies with Vijay Pande at Stanford.
  • Patricia Bauler and Levi Pierce passed their candidacy exams for the Ph.D. degree in chemistry.
  • Patrick Blachly has been selected as a funded trainee of the NIH Molecular Biophysics Training Grant at UCSD. Patrick has also been awarded a prestigious scholarship from the Achievement Rewards for College Scientists (ARCS).
  • Aaron Friedman and Kate Rogers have been selected as funded trainees of the NIH Pharmacological Sciences Training Grant.
  • Vince Metzger has been selected as a funded trainee of the HHMI/NIH Interfaces Graduate Training Program, for studies at the interface of the physical and biomedical sciences.
  • Former postdoc Heather Carlson is being promoted to Full Professor of Chemistry and Medicinal Chemistry at the University of Michigan, Ann Arbor, effective September 1.
May 2011
  • Andy McCammon was elected to the US National Academy of Sciences in May, 2011.
  • Nathan Baker, who completed his PhD in the group, has just been selected as Editor-in-Chief of the journal “Computational Science & Discovery,” published by the Institute of Physics in Great Britain. Nathan is
  • Chief Scientist at the Pacific Northwest National Laboratory.
  • Congratulations on new faculty positions! Riccardo Baron has accepted an Assistant Professorship at the University of Utah. Zhongming Wang has been offered a faculty position at Florida International University.
  • Congratulations to Mehrnoosh Arrar, who has been awarded a prestigious NSF Graduate Research Fellowship! Former undergrad Daniel Dadon, now a graduate student at MIT, also received an NSF Graduate Research Fellowship.
March 2011
  • Congratulations to Barry Grant and Alex Gorfe: Their paper “Conformational selection in G-proteins: Lessons from Ras and Rho” is one of the ten most-cited papers for 2010 in the Biophysical Journal.
  • Congratulations to second-year graduate students Pat Blachly, Aaron Friedman and Kate Rogers, who all passed their departmental exams with flying colors!
  • A warm welcome to Steffen Lindert, a new postdoctoral scholar who just arrived from Vanderbilt University.
February 2011
  • Riccardo's new paper in the journal Structure describes computer simulations of a key enzyme involved in cancer metastasis, and has led to a news release by the San Diego Supercomputer Center and UCSD:
  • Computer simulations further cancer research..
December 2010
  • Tony Ivetac, a current postdoc in the group, will join the Takeda Pharmaceuticals as a Research Scientist at their San Diego research center this month.
  • Former graduate student Sylvia Tara has been appointed Director of Biosimilar Strategy in Amgen Inc.
  • Former postdoc Jung-Hsin Lin has been promoted to Associate Professor, School of Pharmacy, National Taiwan University, and Associate Research Fellow, Academia Sinica.
  • Tommy Sander, who was a visiting graduate student, is completing his PhD at the University of Copenhagen in January 2011. He then moves to a permanent position at Novo Nordisk in Copenhagen.
November 2010
  • Gerhard Hummer (NIH) has a very nice News & Views commentary in the November 2010 issue of Nature Chemistry. This describes the surprising findings published by current postdoc Riccardo Baron and former postdoc Piotr Setny concerning the role of the solvent water molecules in ligand-receptor recognition. The Baron and Setny papers appeared in recent issues of the Journal of the American Chemical Society and the Journal of Chemical Theory and Computation.
  • Congratulations to Bill Sinko, a current graduate student in our Biomedical Sciences Program, on being awarded a highly competitive fellowship from ARCS (Achievement Rewards for College Scientists).
  • Congratulations to former postdoc Frank Brown, who was recently promoted to Full Professor of Chemistry at the University of California at Santa Barbara.
  • Congratulations to former graduate student Roberto Lins, who was recently appointed as Professor of Chemistry, Universidade Federal de Pernambuco, Brazil.
October 2010
  • Hearty congratulations to Rommie Amaro on winning the 2010 NIH Director's New Innovator Award! NIH Director Dr. Francis S. Collins announced the Award on September 30, 2010. Rommie is a new Assistant Professor of Computer Science and Pharmaceutical Sciences at UC Irvine; previously, she was a postdoctoral fellow in our group during 2005-2009. The Award provides five years of funding for Rommie's group.
  • Andy McCammon has been appointed to the International Advisory Board of the new Programme for Research and Training in Computational Science at the Life Sciences Interface, Oxford University and University College London.
  • Former graduate student Brock Luty has accepted a Senior Scientist position at a new company with headquarters and research labs in San Diego: Dart Neuroscience.
  • Hearty congratulations to Rommie Amaro on winning the 2010 NIH Director's New Innovator Award! NIH Director Dr. Francis S. Collins announced the Award on September 30, 2010. Rommie is a new Assistant Professor of Computer Science and Pharmaceutical Sciences at UC Irvine; previously, she was a postdoctoral fellow in our group during 2005-2009. The Award provides five years of funding for Rommie's group.
  • Andy McCammon has been appointed to the International Advisory Board of the new Programme for Research and Training in Computational Science at the Life Sciences Interface, Oxford University and University College London.
  • Former graduate student Brock Luty has accepted a Senior Scientist position at a new company with headquarters and research labs in San Diego: Dart Neuroscience.
September 2010
  • Former postdoc Stephen Bond has been appointed Senior Member of Technical Staff in the Applied Mathematics and Applications Group of Sandia National Laboratories in Albuquerque.
  • Recent graduate student Jacob Durrant has received the Roland K. Robins Pharmacology Dissertation Award for his PhD thesis, which he successfully defended in June. The award was endowed by Dr. Robins, a distinguished chemist and inventor of the antiviral drug ribavirin. Jacob is continuing as a postdoc in the group for a year before returning to finish the clinical courses for his MD degree.
  • Tushar Jain, a former postdoc, has joined Adimab, Inc., as a senior scientist in protein design. Adimab, based in New Hampshire, specializes in the development of therapeutic antibodies: http://www.adimab.com/.
  • Wibke Sudholt, a former postdoc, is a founder and Chair of the Management of CloudBroker GmbH, a Swiss Company that facilitates access to cloud computing for computational chemistry and other applications: http:www.cloudbroker.com/.
August 2010
  • Joe Dzubiella, our former postdoc who has held an Emmy Noether fellowship as junior group leader in Physics at the Technical University in Munich, has now been awarded a permanent position as a theory group leader at the Helmholtz Center Berlin (a national lab) in combination with a professorship at the Physics Department of the Humboldt University Berlin. Joe's new appointments begin in August 2010.
  • Chung Wong, a former postdoc in the group, has been awarded tenure as Associate Professor of Chemistry at University of Missouri - St. Louis.
  • Sanjib Senapati, a former postdoc in the group, has been promoted to Associate Professor at the Indian Institute of Technology, Madras.
  • Dong Xu, an NBCR/UCSD/SDSC postdoc who has worked closely with our group, will join Boise State University in Idaho as an Assistant Professor of Chemistry in August 2010.
  • Sarah Williams, a current postdoc in the group, will join the Novartis Institutes for BioMedical Research as a Research Scientist at their Cambridge, Massachusetts headquarters in October 2010.
  • Ben Wilson, an undergrad research visitor from University of Arizona, will start Ph.D. studies at Stanford University. Ben co-authored a paper on computer-aided drug discovery (PLoS Negl.Trop. Diseases, 2010) based on his work here.
  • Ralph Wheeler, a former postdoc in our group, has been appointed Professor and Chair of the Department of Chemistry and Biochemistry at Duquesne University. Ralph previously held the Presidential Chair of Chemistry at the University of Oklahoma.
July 2010
  • Riccardo Baron, a current postdoc in our group, has won the prestigious prize "Alfredo di Braccio 2010" for the top young Italian chemist. The prize was awarded at a ceremony in Rome on June 24, 2010, by the President of the Italian Republic. The prize is sponsored by the Accademia Nazionale dei Lincei, the Italian academy of science, founded in 1603.
  • Jeremy Kua, a former postdoc in our group, has been awarded tenure and promotion to Associate Professor of Chemistry at the University of San Diego.Federico Fogolari, a former postdoc in our group, has been awarded tenure and promotion to Full Professor at the University of Udine in Italy.Kaihsu Tai, who was a postdoc in Oxford following his PhD studies in our group, has moved to a permanent position in Helsinki as Junior Scientific Officer at the European Chemical Agency.
  • Ivaylo Ivanov, a former postdoc in our group and current Assistant Professor of Chemistry at Georgia State University, has published remarkable computer simulations of DNA transcription and repair machinery that are the subject of a news story by the US Department of Energy: http://www.nccs.gov/2010/06/14/olcf-snapshot-june-14-2010/.
May 2010
  • Congratulations to Jennifer Bui, who has received the NIH Mentored Research Scientist Development Award for transitioning to an independent faculty position. Jen completed her PhD in chemistry in our group, and then held an NSF postdoctoral fellowship at Cambridge University before moving to her current senior postdoc position in David Baker's group at the University of Washington, Seattle.
  • Congratulations to Riccardo Baron, who has won the American Chemical Society Division of Physical Chemistry Postdoctoral Research Award. Ric will give his award lecture at the ACS national meeting in Boston in August.
April 2010
  • Congratulations to Jeff Wereszczynski, who has been awarded an NIH postdoctoral fellowship for his research in our group.
  • Congratulations to former postdoc Rommie Amaro, who has received a prestigious Career Transition Award from NIH. These special awards fund promising new faculty members at the start of their independent careers. Rommie is Assistant Professor of Pharmaceutical Science and of Computer Science at UC Irvine.
  • Congratulations to former postdoc Rebecca Wade, who has been appointed to the faculty of the University of Heidelberg. Rebecca continues as Group Leader at the Heidelberg Institute for Theoretical Studies.
  • Daniel Dadon, who conducted undergraduate research in our group, will move on to MIT for his PhD studies this fall.
  • Former postdoc Nathan Baker, currently Associate Professor at Washington University at St. Louis, will become Chief Scientist and director of a new, multidivisional Signature Science computing initiative at Pacific Northwest National Lab. This is a major new program focusing on high priority initiatives for the Department of Energy as well as several other government agencies.
January 2010
  • Juan Manuel Ortiz Sánchez has been awarded a Fulbright grant for postdoctoral study in our group, to start in April 2010. Juan is completing his Ph.D. in Chemical Physics at the Autonomous University of Barcelona. Previous Fulbright Postdoctoral Fellows in our group have included Indira Ghosh (now Dean of the School of Information Technology, Jawaharlal Nehru University, New Delhi, India) and Maciej Baginski (now Associate Professor of Pharmaceutical Technology and Biochemistry, Technical University of Gdansk, Poland).
  • Daniel Dadon's undergraduate research on new antiviral drugs for influenza has been featured in a news story in MIT's Technology Review. Congratulations to Daniel, and to his mentor, Jacob Durrant – an MD/PhD student in our group.
  • Andy McCammon has been appointed to the editorial boards of two more journals: Accounts of Chemical Research (2010-2013), and Computational Science and Discovery (Institute of Physics, UK, starting 2009).
  • A warm welcome to Kennon Kwok, who has joined our group as Programmer/Analyst IV, and who will oversee acquisitions and management of computers and software.
  • Congratulations to Nan-jie Deng, a former sabbatical visitor in our group, who has been appointed Research Assistant Professor in the Department of Chemistry and the BioMaps institute at Rutgers University, starting January 2010.
  • Congratulations to former postdoc Donald Hamelberg, who just won an NSF CAREER Award as an Assistant Professor at Georgia State University.
  • Congratulations to former postdoc Michael Gilson, who has just joined UCSD as Full Professor and inaugural holder of the Chair in Computer-Aided Drug Discovery.
September 2009
  • Congratulations to Yuhui Cheng, who completed his PhD in Chemistry here in 2007 and continued as a postdoctoral scholar: Yuhui has been appointed to a senior postdoctoral position in the National Biomedical Computation Resource at UCSD.
  • We Welcome Lars Skjaerven, a graduate student from the University of Bergen, Norway, who will be here for several months.
August 2009
  • Congratulations to former postdoc Haihong Ni. She recently became Director of Computational Science at Chemizon, Inc., in Beijing after working in computational chemistry for AstraZeneca for several years.
July 2009
  • Congratulations to former postdocs Chia-en Chang and Donald Hamelberg, who both received Hewlett-Packard Outstanding Junior Faculty Awards! They will present their research in a special session of the American Chemical Society National Meeting in Washington DC in August. Chia-en joined the chemistry faculty at UC Riverside, and Donald joined the chemistry faculty at Georgia State University, both in 2008.
  • Riccardo Baron's recent PNAS paper on oxygen diffusion in flavoenzymes has been featured in a news account in Nature Chemistry.
June 2009
  • Congratulations to Joanna Trylska, who has been awarded habilitation and tenure in the faculty of the Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw.
May 2009
  • Congratulations to former group members on their new faculty positions!
  • Former graduate student of physics Tongye Shen has accepted a tenure-track Assistant Professorship in the Department of Biochemistry and Cellular and Molecular Biology at the University of Tennessee in Knoxville. Tongye starts at UT in the fall of 2009.
  • Former postdoc David Sept has accepted a tenured Associate Professorship in the Biomedical Engineering Department of the University of Michigan at Ann Arbor. Dave starts at UM in July 2009.
  • Former postdoc Martin Zacharias is now Professor of Theoretical Biophysics in the Physics Department of the Technical University of Munich (TUM). Martin moved to TUM in April 2009.
  • Congratulations to our graduate students who are completing their Ph.D. studies! Arneh Babakhani successfully completed his Ph.D. thesis defense in April. Arneh will enter the US Naval Medical School in August.
  • Rob Swift successfully completed his Ph.D. thesis defense in May. Rob will pursue postdoctoral studies at the University of California Irvine with Rommie Amaro, starting in July.
  • Congratulations to Ilja Khavrutskii, who has accepted a Research Scientist position at the Biotechnology High Performance Computing Software Applications Institute in Frederick, Maryland.
  • Congratulations to Ivaylo Ivanov, who has accepted a tenure-track Assistant Professorship in Chemistry at Georgia State University in Atlanta.
  • A warm welcome to Dr. Damian Mooney of University College Dublin. Damian will be on a mini-sabbatical in our group during June and July, with a Fellowship from the Science Foundation Ireland.
April 2009
  • Congratulations to former postdocs on their recent promotions!
  • Volkhard Helms has been appointed Dean of Studies at Saarland University.
  • Yingkai Zhang has been awarded tenure and promoted to Associate Professor of Chemistry at New York University.
March 2009
  • Andy McCammon gives the William E. Palke Lectures in Chemistry at the University of California at Santa Barbara in March. These lectures honor the late, gifted theoretical chemist on the UCSB faculty. More information about Professor Palke can be found here.
  • A warm welcome to new visitors and group members who arrived this month:Huan-Xiang Zhou, Professor of Physics at Florida State University, who is here during his sabbatical leave. Maciej Dlugosz, Faculty Adjunct at University of Warsaw, here for a two-month research collaboration. Ryosuke Ishizuka, Postdoctoral Fellow in Fumio Hirata's group at Kyoto University, here for postdoctoral collaboration.
February 2009
  • Congratulations to Adam Van Wynsberghe, who will become Assistant Professor of Chemistry at Hamilton College in New York.
  • Marco Gallo has moved to El Centro de Investigación en Materiales Avanzados, Mexico, where he is Assistant Professor of Chemical Engineering.
January 2009
  • Maria Kontoyianni has moved to her new position as Assistant Professor of Pharmaceutical Sciences at Southern Illinois University Edwardsville.
November 2008
  • Rommie Amaro and collaborators describe progress toward the discovery of drugs to treat African sleeping sickness in the November 11 issue of the Proceedings of the National Academy of Sciences USA. Related news accounts are available from the National Institutes of Health and from the Howard Hughes Medical Institute).
  • Congratulations to former group members upon their recent promotions:Indira Ghosh is now Dean of the School of Information Technology, Jawaharlal Nehru University, New Delhi. Christoph Sotriffer is now Professor of Pharmaceutical Chemistry at the University of Würzburg, Germany. Shankar Subramaniam is now Chair of the Department of Bioengineering at UCSD.
October 2008
  • Alemayehu (Alex) Gorfe has accepted an Assistant Professorship in Integrative Biology and Pharmacology at the University of Texas Medical School in Houston.
  • BenZhou Lu has accepted an Associate Professorhsip in the Institute of Computational Mathematics and Scientific/Engineering Computing, of the Chinese Academy of Science, located in Beijing.
  • Heather Carlson, now an Associate Professor of Chemistry and of Medicinal Chemistry at the University of Michigan, has been awarded the 2008 Corwin Hansch award of the Cheminformatics and QSAR Society.
  • Another former postdoc, Rebecca Wade, received this award in 2004. More information at http://www.ndsu.nodak.edu/qsar_soc/
  • Donald Hamelberg, now an Assistant Professor of Chemistry at Georgia State University, has been awarded the Distinguished Cancer Scholar grant by the Georgia Cancer Coalition. More information at http://www.georgiacancer.org/res-distawardees2009.php.
  • Richard Law is returning to the Oxford area to be head of computational chemistry at Evotech, a world-leading drug discovery company specializing in central nervous system (CNS) research.
  • Andy McCammon gave the Oscar K. Rice Lectures in Chemistry at the University of North Carolina, Chapel Hill, in October. This prestigious lecture series honors one of the greatest theoretical chemists of the Twentieth Century. A nice biographical sketch of Rice's work by Professor Ben Widom can be found in the Journal of Statistical Physics, vol 21, pp 341-344 (1979).
August 2008
  • Alexei Podtelezhnikov has been appointed Senior Research Scientist in Informatics at Merck & Co., West Point, PA.
July 2008
  • Rommie Amaro has accepted an Assistant Professorship in Pharmaceutical Sciences at the University of California at Irvine, to begin in 2009.
  • Andy McCammon has been appointed editor of Quarterly Reviews in Biophysics, published by Cambridge University Press.
June 2008
  • Three more postdocs have accepted new faculty positions - congratulations! Donald Hamelberg will be Assistant Professor of Chemistry at Georgia State University in Atlanta. Zeyun Yu will be Assistant Professor of Computer Science at the University of Wisconsin, Milwaukee. Yongcheng Zhou will be Assistant Professor of Mathematics at Colorado State University.
April 2008
  • Congratulations to Mikolai Fajer, who has been awarded a prestigious NSF predoctoral fellowship.
  • Congratulations to former postdoc, Sanjib Senapati, who has been awarded a BOYSCAST Fellowship by the Government of India for a sabbatical in our group this summer. Sanjib is currently Assistant Professor at the IIT-Madras.
March 2008
  • Congratulations to graduate student Paul Gasper, who has won the 2008-9 Kamen/Kaplan Fellowship from UCSD. This fellowship is provided by the Agouron Institute to honor two of the early members of the UCSD Department of Chemistry and Biochemistry: Martin Kamen and Nathan Kaplan. Kamen was co-discoverer of the isotope carbon-14, and Kaplan was a pioneering enzymologist and cancer researcher.
  • Congratulations to Adam Van Wynsberghe, who has been awarded an NIH Postdoctoral Fellowship.
  • Congratulations to former postdoc Shankar Submaraniam, upon winning the 2008 UCSD Chancellor's Associates Faculty Excellence Award for Research in Science and Engineering. Shankar is Professor of Bioengineering at UCSD.
  • A warm welcome to Jingfang Huang, Associate Professor of Mathematics, University of North Carolina at Chapel Hill. Jingfang has joined our group during his sabbatical leave.
February 2008
  • Congratulations to Xiaolin Cheng, who is moving on to become Assistant Professor of Biochemistry at the University of Tennessee and Research Scientist at Oak Ridge National Laboratory.
  • Congratulations to Stewart Adcock, who has been named Vice President of Software Development for MEDIT, a molecular modeling company based in Europe.
  • J. Andrew McCammon received the "2008 ACS Award for Computers in Chemical and Pharmaceutical Research." Link to the article in the Feb 11 issue of Chemical & Engineering News
October 12, 2007
  • FDA approves Isentress (raltegravir), first in a new class of antiviral drugs for HIV/AIDS. Link to the story at the San Francisco Chronicle:
  • Merck & Co. has a news release at:
September 2007
  • Congratulations to former postdoctoral fellows Kay Hamacher, appointed as a professor and head of Bioinformatics and Theoretical Biology, Technical University of Darmstadt; and Willy Wriggers, appointed as Research Scientist, D.E. Shaw Research.
  • Congratulations to former undergraduate researcher Barry Smith, appointed as visiting Assistant Professor of Mathematics, University of California at Irvine.
  • September 5, 2007: FDA panel unanimously recommends accelerated approval of first in a new class of drugs for HIV/AIDS. The new drug, Merck's Isentress (raltegravir), inhibits the HIV integrase enzyme. A key aspect of the mechanism of this drug was discovered by computer simulations in the McCammon group, as described in the paper by Schames et al. (2004) [see the list of group publications on this site]. A press release from Merck on the new drug can be found at:
June 2007
  • Congratulations to current and former group members who are moving on to new faculty positions: Chia-En Chang will become Assistant Professor of Chemistry at the University of California at Riverside. Paul de Bakker will become Assistant Professor of Medicine at Harvard Medical School. Cameron Mura will become Assistant Professor of Chemistry at the University of Virginia.
  • Congratulations to two more graduate students who have completed their Ph.D. studies: Yuhui Cheng successfully defended his thesis work on June 1, and will continue as a postdoctoral fellow at UCSD working in Mike Holst's group (mathematics) as well as in our group. David Minh successfully defended his thesis work on June 4, and will pursue postdoctoral study at the National Institutes of Health.
May 2007
  • Congratulations to Dave Cerutti, who successfully defended his PhD on May 10. Dave will postdoc with former group member Terry Lybrand at Vanderbilt University.
  • Congratulations to Frank Brown, who has been awarded a Camille Dreyfus Teacher Scholar, and who is being awarded tenure and promotion in the Department of Chemistry and Biochemistry, University of California at Santa Barbara.
March 2007
  • Congratulations to former graduate student Regis Pomes, who is being awarded tenure and promotion in Biochemistry at the University of Toronto and in the Research Institute of Toronto's Hospital for Sick Children.
  • Congratulations to former postdoc Dave Sept, who is being awarded tenure and promotion in Biomedical Engineering at Washington University in St. Louis.
December 2006
  • Congratulations to Nathan Baker, who received early tenure and promotion to Associate Professor of Biochemistry and Molecular Biophysics, Washington University in St. Louis.
  • Congratulations to Dimitri Morikis, Professor of Bioengineering, UC Riverside, on his election as Fellow of the American Association for the advancement of Science.
  • Congratulations to Jack Tanner, who has been promoted to Full Professor of Chemistry, University of Missouri at Columbia.
  • Congratulations to Jennifer Bui, who has been elected a Fellow of Hughes Hall at Cambridge University.
November 2006
  • Congratulations to former group member Jens Nielsen, who is being promoted to Sr. Lecturer at the University College, Dublin, Ireland.
September 2006
  • Congratulations to current and recent group members!
  • Rommie Amaro was awarded an NIH postdoctoral fellowship to study in the McCammon group at UCSD.
  • Jennifer Bui was awarded an NSF postdoctoral fellowship to study in the Dobson group at University of Cambridge.
  • Heather Carlson has been awarded tenure at the University of Michigan.
  • Adrian Elcock has been awarded tenure at the University of Iowa.
  • Dimitri Morikis has been promoted to Full Professor at the University of California, Riverside.
  • Jessica Swanson was awarded an NIH postdoctoral fellowship to study in the Voth group at University of Utah.
  • Willy Wriggers has been awarded tenure at the University of Texas Health Science Center, Houston.
June 29, 2006
  • Dave Cerutti has been awarded the Teddy Traylor GraduateFellowship by the UCSD Department of Chemistry and Biochemistry. This fellowship is awarded to highly successful graduate research scientists to assist them in the pursuit of their studies and for travel to scholarly meetings.
March 3, 2006 February 28, 2006 November 1, 2005 July 29, 2005
Resources for current group members:
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Research in the McCammon group is supported in part by grants from the following agencies:
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