Group Alumni

Sabbatical Visitors

Stephen C. Harvey, 1/81-6/81; Georgia Tech.
Eric Dickinson, University of Leeds, England.
Peter C. Jordan, 9/86-6/87; Brandeis University.
Eric Jakobsson, 12/86-6/87; University of Illinois at Urbana.
Scott Whittenburg, 11/88-1/89; University of New Orleans.
Laura Nell, 3/89-9/89; Baylor College of Medicine.
Bogdan Lesyng, 7/90-10/90, 7/91-10/91, 7/92-10/92, 8/93-9/93; University of Warsaw, Poland.
Jay Rasaiah, 1/92-12/92, 6/93-8/93; University of Maine.
Huan-Xiang Zhou, Florida State University, 6/96-8/96, 8/02.
Mary Jo Ondrechen, 4/97-9/97, 6/98-8/98, 9/99-12/99; Northeastern University.
José L. F. Abascal, 6/97-9/97; Universidad Complutense de Madrid, Spain.
Haluk Resat, 7/98-8/98; Koc University, Istinye, Istanbul, Turkey.
Michael Pear, 1/00-12/01; Molecular Simulations, Inc..
Jesus Izaguirre, 4/01-5/01; Notre Dame University.
Joanna Trylska, 1/03-12/04; Warsaw University, Poland.
Peter Langhoff, 6/03-5/04; Indiana University.
Roberto A. Garza-López, 8/03-9/03; Pomona College.
Valentina Tozzini, 9/03-3/04; Scuola Normale Superiore, Pisa, Italy.
Chandrajit Bajaj, 9/04-5/05; University of Texas at Austin.
Paul Seybold, 1/05-4/05; Wright State University.
Volkhard Helms, 5/07-8/07 Saarland University.
Jingfang Huang, University of North Carolina at Chapel Hill, 3/08-9/08

Staff Scientists

Robert Konecny, 5/01-present; Director, Keck II Computational Facility.
Donald Hamelberg, 12/05-present; HHMI Bioinformatics Specialist.
Gary Huber, 7/06-present; HHMI Bioinformatics Specialist.

Postdoctoral Fellows

Scott Northrup, 9/78-9/80; currently, Professor and Chair, Department of Chemistry, Tennessee Technological University – NIH Research Career Development Awardee, 1985.
Michael R. Pear, 9/79-5/81; currently, Director of Bioinformatics, ISIS Pharmaceutical.
Boryeu Mao, 7/80-7/83; currently, Senior Research Scientist, Cerep, Inc..
Max Berkowitz, 8/80-8/83; currently, Professor Department of Chemistry, University of North Carolina, Chapel Hill – W. Wiley Chair Professor, 1996.
Chyuan-Yih Lee, 10/80-8/82; subsequently, Assistant Professor, Dept. of Physiology, National Yang-Ming University, Taiwan.
John W. Allen, 9/81-8/83; subsequently, Research Scientist, Texas Instruments Corporation.
Lance J. Ransom-Wright, 4/82-1/84; subsequently, Senior Director, Product Technology and Marketing, Support, Cengent Therapeutics, Inc.
Stuart A. Allison, 9/82-8/84; currently, Professor, Dept. of Chemistry, Georgia State University – NSF Presidential Young Invesitgator Awardee, 1985.
Bhalachandra L. Tembe, 9/83-8/84; currently, Professor, Department of Chemistry, Indian Institute of Technology, Bombay, India.
Indira Ghosh, 9/83-8/86; currently, Professor, Institute of Bioinformatics & Biotechnology, University of Pune, India – Fullbright Scholar Award.
Omar Karim, 9/83-8/86; currently, Vice President, Research and Development, IDeaS, Inc.
Chung-Fun Wong, 9/84-8/89; currently, Chemistry professor, University of Missouri, St. Louis.
Terry Lybrand, 12/84-8/87; currently, Professor, Department of Biochemistry, Vanderbilt University – NSF Presidential Young Investigator Awardee, 1987.
Russell J. Bacquet, 1/85-8/87; subsequently, Director of Computational Chemistry, Agouron Pharmaceuticals, Inc.
Jeffry Madura, 11/85-1/87; currently, Professor and Chair of Chemistry, Duquesne University.
Wan F. Lau, 2/86-8/87; subsequently, Research Scientist, Squibb Institute for Medical Research.
Shankar Subramaniam, 9/86-1/90; currently, Professor, Department of Bioengineering, University of California, San Diego.
Sundaram Sridharan, 10/86-8/89; currently, Research Scientist, Pfizer.
Chong Zheng, 1/87-8/90; currently, Professor, Department of Chemistry, Northern Illinois University – NSF Presidential Young Investigator Awardee, 1991.
Malcolm Davis, 4/87-1/92; currently, Research Scientist, Bristol-Myers Squibb Research Institute.
Michael J. Mitchell, 6/87-9/91; currently, Research Scientist, Becton-Dickinson Research Center.
Ralph Wheeler, 10/87-1/90; currently, Presidential Professor, Department of Chemistry, University of Oklahoma.
Tjerk P. Straatsma, 1/88-1/95; currently, Associate Division Director, Pacific Northwest National Laboratory.
John Tanner, 8/88-8/93; currently, Professor, Department of Chemistry, University of Missouri.
Rebecca Wade, 10/88-1/92; currently, Group Leader, EML Research and European Molecular Biology Organization, Heidelberg.
Jacqueline Sines, 10/89-1/91; subsequently, Research Associate, Keck Center for Computational Biology, Baylor College of Medicine.
Nathalie Levasseur, 1/90-2/91; subsequently, Research Scientist, L'Oreal, France.
James M. Briggs, 5/90-10/98; currently, Associate Professor Department of Biology & Biochemistry and Chemistry, University of Houston.
Jian Shen, 6/90-6/92; currently, Senior Research Investigator, Aventis, Inc.
Thanh N. Truong, 8/90-8/92; currently, Professor of Chemistry, University of Utah – NSF Young Investigator Awardee, 1993.
Martin Zacharias, 6/91-6/93; currently, Professor, Department of Structural Biology, Internationial University Bremen, Germany.
Yat-Ting Wong, 8/91-8/93; subsequently, Asstistant Professor of Computational Science, University of Singapore.
Michael K. Gilson, 8/91-7/94; currently, Professor, Center for Advanced Research in Biotechnology, University of Maryland – CARB Fellow.
Kizhake Soman, 7/92-12/94; currently, Research Asst. Prof., University of Texas Medical Branch at Galveston.
Eric Hawk, 8/92-2/94; subsequently, Computational Consultant.
Michael Bass, 1/93-7/94; currently, Research Computational Biologist, Amgen, Inc.
Stan Wlodek, 9/93-9/98; currently, Senior Research Scientist, OpenEye Scientific Software, Inc.
Tami Marrone, 9/93-4/97; currently, Research Scientist, Pfizer-La Jolla.
Shawn McDonald, 10/93-1/96; currently, Research Scientist, Structural Bioinformatics, Inc.
Jan Antosiewicz, 10/94-6/95; currently, Professor of Biophysics, Warsaw University, Poland.
Haluk Resat, 10/94-8/96; currently, Research Scientist, Battelle Pacific Northwest National Laboratory.
Adrian Elcock, 1/95-10/00; currently, Associate Professor of Biochemistry, University of Iowa – NSF CAREER Awardee.
Aguinaldo Robinson, 2/95-1/96; currently, Assistant Professor of Chemistry, Universidade Estadual Paulista, Brazil.
Gary Huber, 9/95-8/99; currently, HHMI Bioinformatics Specialist, UCSD – NSF CAREER Awardee, 2001.
Maciej Baginski, 9/95-7/96; currently, Research Scientist, Dept. of Pharmaceutical Technology and Biochemistry, Technical University of Gdansk, Poland.
Federico Fogolari, 10/95-9/96; currently, Assistant Professor, University of Udine.
Volkhard Helms, 7/96-9/98; currently, Professor and C4 Chair, University of Saarland, Saarbruecken, Germany – EMBO Young Investigator Awardee, 2001.
Timothy P. Westcott, 9/96-10/97; currently, Systems Analyst, FileNet, Boston, MA.
Heather Carlson, 1/96-6/00; currently, Associate Professor, Department of Medicinal Chemistry, University of Michigan – Beckman Young Investigator Awardee, 2002, NSF CAREER Awardee, 2006.
Philippe Hünenberger, 3/97-11/99; currently, Associate Professor of Theoretical Chemistry, ETZ-Zurich.
Wolfgang Weber, 8/97-4/99; currently, Science Policy Analyst, German Chemical Industry Assn., Frankfurt, Germany.
David Sept, 10/97-3/01; currently, Associate Professor, Department of Bioengineering, Washington University at St. Louis.
Willy Wriggers, 11/97-10/99; subsequently, Associate Professor, School of Health Information Sciences, University of Texas Health Science Center at Houston – Sloan Research Fellow; currently, Research Scientist, D.E. Shaw Research.
Tiziana Mordasini, 9/98-12/99; currently, Research Scientist, IBM-Zurich.
Frank Brown, 9/98-7/01; currently, Associate Professor of Chemistry, University of California, Santa Barbara. Camille Dreyfus
Teacher Scholar, Sloan Research Fellow – Presidential Early Career Award.
Marios Phillipopoulos, 1/99-12/99; subsequently, Research Fellow, Hospital for Sick Children, Toronto.
Dimitrios Morikis, 6/99-5/01; currently, Professor, Department of Bioengineering, UC Riverside.
Christoph Sotriffer, 6/99-8/00; currently, Assistant Professor, Institut für Pharmazeutische Chemie, Marburg, Germany.
Haihong Ni, 7/99-9/01; currently, Research Scientist, AstraZeneca Pharmaceuticals.
Richard Henchman, 6/00-12/04; currently, Lecturer, University of Manchester, UK.
Jung-Hsin Lin, 9/00-8/02; currently, Assistant Professor of Physical Chemistry and Theoretical Pharmacy, National Taiwan University.
Alexei Podtelezhnikov, 11/00-11/03; currently, Senior Research Associate, Keck Graduate Institute, Claremont, CA.
Stephen Bond, 11/00-8/03; currently, Assistant Professor of Computer Science, University of Illinois at Urbana-Champaign.
Yinghai Zhang , 12/00-8/03; currently, Assistant Professor of Chemistry, New York University and Courant Institute – NSF CAREER Awardee, 2004 – James D. Watson Young Investigator Award.
Jeremy Kua, 3/01-8/02; currently, Assistant Professor of Chemistry, University of San Diego – Dreyfus New Faculty Awardee.
Jens-Erik Nielsen, 5/01-9/03; currently, Senior Lecturer, School of Biomolecular and Biomedical Science, University College Dublin – President of Ireland Research Awardee.
Nathan Baker, 6/01-6/02; currently, Associate Professor of Biochemistry and Molecular Biophysics, Washington University, St. Louis – Sloan Research Fellow.
Burak Aksoylu, 6/01-10/01; currently, Assistant Professor in Mathematics, Louisiana State University.
Vanda Glezakou, 8/01-7/02; currently, Staff Scientist, Pacific Northwest National Laboratory.
Hugh MacMillan, 9/01-8/03; currently, Assistant Professor in Mathematics, Clemson University.
Stewart Adcock, 10/01-10/04. currently VP Software Development at MEDIT SA.
Wibke Sudholt, 10/01-10/03; currently, Senior Research Associate in Chemistry, University of Zurich.
Jerry Greenberg, 10/01-9/03; currently, Research Scientist, San Diego Supercomputer Center.
Jason Suen, 9/02-8/04; currently, Senior Research Associate in Chemical Engineering, UCLA.
Cameron Mura, 10/02–11/07; currently, Assistant Professor, Department of Chemistry, University of Virginia.
David Zhang, 12/02 - 11/05; currently, Product Development Scientist, Accelrys* Inc., San Diego, CA.
Tongye Shen, 12/02 - 9/07.
Richard Law, 1/03-3/05; currently Research Scientist, Lawrence Livermore National Lab.
Ben-Zhuo Lu, 2/03-present.
Donald Hamelberg, 5/03-currently, HHMI Bioinformatics Specialist, UCSD.
Sanjib Senapati, 8/03-12/05; currently, Assistant Professor of Biotechnology, ITT Madras, Chennai, India.
Justin Gullingsrud, 9/03-1/07; currently D.E. Shaw Research, New York.
Kay Hamacher, 7/04-5/06; currently, Assistant Professor, Bioinformatics and Theo. Biology Group, Technische Universität Darmstadt.
Joachim Dzubiella, 10/04-6/06; currently, Group Leader, Theoretical Biological Physics. Technical University in Munich.
Tushar Jain, 10/04-9/06; currently Research Scientist, Verseon Pharmaceuticals.
Xiaolin Cheng, 10/04- 2/08; currently, Assistant Professor, University of Tennessee and ORNL.
Chia-en Chang, 1/05-12/07, .Assistant Professor, Department of Chemistry, University of California, Riverside.
Ivaylo Ivanov, 1/05-present.
Barry Grant, 2/05-present.
Jennifer M. Bui, 8/05-9/06; currently, NSF Postdoctoral Fellow, Cambridge University, UK.
Alemayehu Abebe, 9/05-present.
Cesar Oliveira, 9/05-present.
Rommie Amaro, 11/05-present.
Yongcheng Zhou, 8/06-present.
Riccardo Baron, 9/06-present.
Sergio Wong, 10/06-present.
Ilja Khavrutskii, 2/07-present.
Adam Van Wynsberghe, 6/07-present.
Sarah Williams, 6/07-present.
Yuhui Cheng 6/07-present
Anthony Ivetac 10/07-present

Graduate Students

John D. Morgan, 11/79-8/84; Ph.D., 1984; currently, Systems Analyst, State of Arkansas .
Charles Ulrich, 1/82-12/87; M.S., 1988; subsequently, M.D., from U.T. Southwestern Medical School.
Terry Clark, 1/83-12/96; M.S. (Chemistry), 1985; M.S (Computer Science), 1988; Ph.D. (Computer Science, University of Houston) 1996; currently, Assistant Professor of Computer Science, University of Kansas.
Girija Ganti, 6/83-5/86; M.S., 1985; Ph.D., 1986; subsequently, Member of the Technical Staff, Lucent Bell Laboratories.
Gail Carlson, 1/84-6/87; Ph.D.(Biochemistry, Texas A&M), 1987; subsequently, Research Director, American Veterinary Association.
Michael Mazor, 1/85-8/89; Ph.D. (University of Houston) 1989; currently, Research Scientist, Dow Chemical.
Jean-Christophe Sauniere, 12/85-12/86; M.S. (Computer Science) 1987; subsequently, National Service, France.
Jian Shen, 1/87-6/90; Ph.D. (University of Houston) 1990; currently, Senior Research Investigator, Aventis, Inc.
Regis Pomes, 1/88-6/93; Ph.D. (University of Houston) 1993; currently, Associate Professor, Department of Biochemistry, University of Toronto, Canada – Canada Research Chair Awardee, 2001.
William Cannon, 12/88-5/94; Ph.D. ( University of Houston) 1994; currently, Research Scientist, Pacific Northwest National Laboratory.
Brock Luty, 3/89-6/93; Ph.D. (University of Houston) 1993; currently, Research Scientist, Pfizer-La Jolla.
Piotr Bała, Visitor, 4/91-6/93; Ph.D. (Physics, N. Capernicus University) 1993; currently Associate Professor, N. Copernicus University.
Samir El-Amrani, 5/91-6/96; Ph.D. (University of Houston) 1996; currently, intellectual property law.
Michael J. Potter, 10/93-6/98; Ph.D., 1998, currently, Chief Technical Officer, VeraChem LLC, Germantown, Maryland.
Paul Kirchhoff, 10/93-6/98; Ph.D., 1988; currently, Research Scientist, Pfizer-Ann Arbor.
Jason Smart, 1/95-6/98; Ph.D.(Physics), 1998; currently, Research Scientist, Incyte Genomics, Inc.
Sylvia Tara, 5/96-10/98; Ph.D., 1998; currently, Senior Director of Scientific Marketing, Accelrys Inc.
Roberto Lins, visitor 5/97-11/98; Ph.D., (Theoretical Biochemistry, Universidade Federal de Pernambuco, Brazil), 1999; currently Research Scientist, Pacific Northwest National Laboratory.
Paul I. W. de Bakker, visitor, 7/97-3/98; M. Pharm. (Pharmacological Chemistry, University of Utrecht) 1998; subsequently, Ph.D. student, Department of Biochemistry, Cambridge University; currently, Assistant Professor, Harvard Medical School.
Nathan Baker, 9/97-6/01; currently, Associate Professor of Biochemistry and Molecular Biophysics, Washington University, St. Louis – Sloan Research Fellow.
Hagop Demirdjian, visitor 5/98-7/98; M.S. (Chemical Physics, ENS-Lyon) 1999; subsequently, Ph.D. student, Theoretical Chemistry, ENS-Paris.
Kaihsu Tai, 9/98-12/02; Ph.D., 2002; currently Postdoctoral Fellow, Senior Research Associate, Oxford University.
Tongye Shen, 9/98-12/02; Ph.D. (Physics), 2002; currently, Postdoctoral Fellow, UCSD.
Larry Canino, 10/98-12/01; Ph.D. (Physics), 2001; currently scientific consulting.
Eric Scheeff, 1/99-12/03; Ph.D. (Biomedical Sciences), 2003; currently, research scientist, The Salk Institute.
Burak Aksoylu, 2/99-6/01; Ph.D. (Mathematics), 2001; currently, Assistant Professor of Mathematics, Louisiana State University.
Dennis Law, 6/99-6/05; Ph.D. (Chemistry), 2005; currently, Postdoctoral Fellow, SDSC.
Ulf Börjesson, Visitor, 9/99-12/99; M.Sc. (Biotechnology, Uppsala Universite, Sweden) 2000; subsequently, Ph.D. student, Department of Physical Chemistry, ETH-Zürich.
Ernesto C. Andrianantoandro, 1/00-9/01; M.Sc.; currently, Ph.D. student, Yale University.
Julie Schames Pressman, 4/00-4/05. NIH Pharmacology Training Grant Fellow; currently with Qiagen, Inc.
Jennifer M. Bui , 6/00-6/05; Ph.D. Chemistry (2005); currently, NSF Postdoctoral Fellow, Cambridge University, UK.
Alexander Perryman, 7/00-6/05; Ph.D. (Biomedical Sciences); 2005; subsequently, Research Associate, The Scripps Research Institute.
Laura Sagle, 3/01-12/05; Ph.D. Chemistry (2005) currently; postdoctoral fellow, Texas A&M University.
Aleksandra Walczak, visitor 6/01-9/01; currently, Ph.D. student, Physics, UCSD.
Jessica Swanson, 8/01-6/06 Ph.D; currently University of Utah, Postdoctoral Fellow.
Andreas Vitalis, visitor 10/01-8/02; M.S. student, Ruhr-Universitat Bochum, Germany; currently, Ph.D. student, Biological Sciences, Washington University, St. Louis.
Thuy Dinh, 1/02-12/06; Ph.D. (Chemistry), 2006; currently, independent consulting.
Kristin Toendel, visitor, 1/02-7/02 (Norwegian University of Science and Technology 2004); subsequently, Postdoctoral Fellow, Department of Cancer Research and Molecular Medicine at the Norwegian University of Science and Technology.
Barry Grant, visitor 9/02-12/02 (University of York 2004); currently Postdoctoral Fellow UCSD.
John Mongan, 9/02-6/06; Ph.D. Bioinformatics, (2006); completing M.D. portion of M.D./Ph.D. program.
David Cerutti, 9/02-6/07 Ph.D. Chemistry (2007); currently Postdoctoral Fellow, Vanderbilt University.
Yuhui Cheng, 9/02-6/07; Ph.D. Physical Chemistry (2007); currently Postdoctoral Fellow, UCSD.
Jie Liu, 6/03-present.
Grace Yang, 7/03-3/05; Ph.D. Chemistry (2005); subsequently at the Burnham Institute.
David Minh, 10/04-6/07; Ph.D. Physical Chemistry, (2007); currently, Postdoctoral Fellow NIH.
Arneh Babakhani, 3/05-present.
Kevin Litchfield, visitor 5/05-8/05, M.S. student, York University.
Jesper Sørensen, visitor 1/06-7/06, M.S. student, University of Aarhus, Denmark.
Rob Swift, 2/06-present.
Mikolai Fajer, 1/07-present.
Morgan Lawrenz, 1/07-present.
Jacob Durrant, 11/07-present.
Paul Gasper, 12-07-present.

Undergraduate & Pregraduate Students

Liton Hudson, 9/82-5/83.
Zibandeh Bayat, 6/83-5/85.
Tony Thang, 1/89-8/90.
Raymond Tan, 5/90-8/92. Subsequently, M.D. program, Tufts University.
Zachariah Dortch, 6/90-7/90.
Henry Chang, 7/90-8/91.
David Vaughn, 8/90-1/91.
Jim Chuong, 1/81-8/91.
Bhavana Desai, 4/91-12/91.
Jeremy Martin, 6/92-7/92.
John Tydlaska, 6/92-7/92.
Jason Tibbits, 7/92-9/92.
Irwin Lee, 6/93-9/93. Subsequently, M.D. program, Harvard University.
Brent Hanks, 6/94-9/94. Subsequently, M.D. program, Baylor College of Medicine.
Paul Clemons, 6/94-5/95; subsequently, PhD in Molecular and Cellular Biology, Harvard, 2001; Chemical Biology Fellow, Broad Institute.
George Nguyen, 6/95-8/95.
Jeffrey Tsai, 7/95-9/96.
Erik Hom, 8/95-9/97. Subsequently, Postdoctoral Scholar, MCB, Harvard University.
Lawrence Li, 5/96-12/96. Subsequently, M.D. program, University of Illinois.
Allan Cruz, 1/97-6/99.
Carrie Aroyan, 3/98-6/99. Subsequently, Ph.D. program, Synthetic Organic Chemistry, Boston College.
Kevin Masukawa, 3/98-6/99. Subsequently, Ph.D. program, Pharmaceutical Chemistry, UCSF.
Brent Gregersen, 3/99-7/00. Subsequently, Ph.D. program, Physical Chemistry, University of Minnesota. Currently with D.E. Shaw Research and Development.
Helene Jensen, 4/99-3/00. Subsequently, M.S. program, Forensic Chemistry, University of New Haven.
Laura Neurauter, 6/99-3/00.
Barry Smith, 7/99-9/00. Visiting Professor of Mathematics, UC Irvine.
Gregory Sims, 12/99-6/01.
Greg Gidofalvi, 6/00-9/00. Subsequently, Ph.D. program, Chemical Physics, University of Chicago.
Christine Gould, 6/01-9/01. Subsequently, Ph.D. program, Biomedical Sciences, UCSD.
Chiansan Ma, 6/01-9/01. Subsequently, Ph.D. program, Chemical Physics, MIT.
Mike Tolleth, 1/02-9/03.
Peter Sims, 1/02-6/04 – Winner J.E. Mayer Award for Undergraduate Research, UCSD – Subsequently, Ph.D. program, Chemistry, Harvard University.
Toni Smith, 3/02-8/03. Subsequently, Ph.D. program, Chemistry, Iowa State University.
Michael Lim, 6/02-8/02.
Angelique Eslami, 6/02-8/02. Subsequently, Ph.D. program, Biosciences, University of Iowa.
Maurice Zissen, 6/02-8/02; currently, M.D. program, Stanford University.
Hovig Bayandorian, 11-02-6/05; subsequently, Ph.D. program, Physics, UC Berkeley.
Tony Raubitschek, 2/03-9/04.
Yonghui Yu, 2/04-9/04.
Jennifer Greene, 5/04-7/04. HHMI EXROP Scholar. Subsequently, Ph.D. program, Biochemistry and Molecular Biophysics, University of Pennsylvania.
Peter Ung, 6/04-6/06 – Winner of J.E. Mayer Award for Undergraduate Research, UCSD – Subsequently, Ph.D. program, Medicinal Chemistry, University of Michigan.
Irina Olshanskaya, 9/04-12/04.
Erik Corona, 1/05-6/05.
Shayri Greenwood, 5/05-7/05. Subsequently, HHMI EXROP Scholar; currently, pre Ph.D. Program, SUNY Stony Brook.
Maurice Zissen 8/05-4/06. Subsequently, M.D. program, Stanford.
Matthew Chang, 9/05-6/06.
Matthew Gonzales, 11/05-5/06. Subsequently, M.D./Ph.D program, UCSD.
Erik Johan Qvist, 3/06-7/06. Subsequently, Ph.D. program, Chemistry, Lund University Sweden.
Conor Riley, 10/06-12/07.