Weekly meetings are every Wednesday from 11:30 AM to 1:00 PM in CAICE Conference Room, 3rd Floor, Urey Hall Addition.
| Date |
Speaker |
Title |
| January 6, 2016 | Yinglong Miao | Computer-Aided Drug Design and Improved Methodology for Biomolecular Modeling |
| January 13, 2016 | - | No Group Meeting |
| January 20, 2016 | Jacob Durrant | Computer-Aided Drug Design: From Basic Science to Clinical Applications |
| January 27, 2016 | - | No Group Meeting |
| February 3, 2016 | Gary Huber | Hydrodynamic Interactions Among Complex Bodies Using Bead Models |
| February 10, 2016 | - | No Group Meeting |
| February 17, 2016 | Giulia Palermo | Unraveling the mechanistic basis of protein/nucleic acid systems via computational methods |
| February 24, 2016 | - | No Group Meeting |
| March 2, 2016 | - | No Group Meeting |
| March 9, 2016 | Siti Azma | Ensemble Docking to Nuclear Hormone Receptors |
| March 16, 2016 | - | No Group Meeting |
| September 21, 2016 | Robert Malmstrom | An ensemble view of protein-ligand interactions in a canonical signaling domain |
| September 28, 2016 | - | No Group Meeting |
| October 5, 2016 | Clarisse Ricci | Coarse-graining solvation energies: the Martini-VISM method and future directions |
| October 12, 2016 | - | No Group Meeting |
| October 19, 2016 | - | No Group Meeting |
| October 26, 2016 | Emilia Pecora de Barros | Electrostatic interactions as mediators in the allosteric activation of PKA RIalpha |
| November 2, 2016 | -- | No Group Meeting |
| November 9, 2016 | - | No Group Meeting |
| November 16, 2016 | -- | No Group Meeting |
| November 30, 2016 | -- | No Group Meeting |
| December 7, 2016 | Yinglong Miao | Accelerated Computer Simulations: Method Development and Applications in Drug Discovery |
| December 14, 2016 | Giulia Palermo | Unraveling the mechanistic function of the CRISPR/Cas9 system via computational methods: progresses and novel ideas |
| December 21, 2016 | -- | No Group Meeting |
| December 28, 2016 | -- | No Group Meeting |
| January 4, 2017 | -- | No Group Meeting |
| January 11, 2017 | Christopher Lee | Investigating Transport Properties with Multi-Scale Computable Mesh Models from Heterogeneous Structural Datasets |
| January 18, 2017 | -- | No Group Meeting |
| January 25, 2017 | Sophia Hirakis | Particle-based approaches to clearing calcium: a protein landscape model of the Sarco/Endoplasmic reticulum Calcium-ATPase (SERCA) pump for sub-cellular stochastic models |
| February 1, 2017 | -- | No Group Meeting |
| February 8, 2017 | Alisha Caliman | Exploring and Characterizing the Conformational Spaces of A2AAR and S1PR1 for the Treatment of Immunological Diseases |
| February 15, 2017 | -- | No Group Meeting |
| February 22, 2017 | Tavina Offutt | Dynamics of the R175H Mutant in the Full-Length p53 Tetramer System |
| March 1, 2017 | -- | No Group Meeting |
| March 8, 2017 | Gary Huber | Brownye 2.0: more flexible software |
| March 15, 2017 | -- | No Group Meeting |
| March 22, 2017 | Ozlem Demir | Dynamics of Apobec3b Enzyme |
| March 29, 2017 | -- | No Group Meeting |
| April 5, 2017 | -- | No Group Meeting |
| April 12, 2017 | Lorenzo Casalino | RNA splicing: A Computational Journey from Ribozymes to Spliceosome |
| April 19, 2017 | -- | No Group Meeting |
| April 26, 2017 | Mindy Huang | Ligand association and dissociation: Case of p38 kinase |
| May 3, 2017 | -- | No Group Meeting |
| May 10, 2017 | Jeffrey Wagner | Everything you wanted to know about APOBEC, but were too afraid to ask |
| May 17, 2017 | -- | No Group Meeting |
| May 24, 2017 | -- | Cancelled |
| May 31, 2017 | Frank Noe | From all-atom molecular kinetics beyond the seconds timescale to cellular signal transduction |
| June 7, 2017 | -- | Cancelled |
| June 14, 2017 | Dan Mermelstein | Fast, accurate pH dependent alchemical free energy calculations towards rational drug design |
| June 21, 2017 | -- | No Group Meeting |
| June 28, 2017 | Ashay Patel | Structure and dynamics of acyl carrier proteins and their partner proteins |
| July 5, 2017 | -- | No Group Meeting |
| July 12, 2017 | Mattia Bernetti | Characterization of protein-ligand binding pathways via computational methods |
| July 19, 2017 | -- | No Group Meeting |
| July 26, 2017 | -- | No Group Meeting |
| August 2, 2017 | -- | No Group Meeting |
| August 9, 2017 | Ben Jagger | Quantitative Ranking of Small Molecule Off Rates for the Beta-Cyclodextrin Host System using SEEKR |
| August 16, 2017 | -- | No Group Meeting |
| August 23, 2017 | Bryn Taylor | Differential Dynamics and Druggability of Chemokine Receptor CCR2 |
| August 30, 2017 | -- | No Group Meeting |
| September 6, 2017 | Terra Sztain | Structure and Dynamics of Acyl Carrier Proteins |
| September 13, 2017 | -- | No Group Meeting |
| September 20, 2017 | Jamie Schiffer | TBD |
| September 27, 2017 | -- | No Group Meeting |
| October 4, 2017 | Clarisse Ricci | Current progress (and future directions) on the Variational Implicit Solvent Method (VISM) |
| October 11, 2017 | Christopher Lee | Working Towards GAMer 2.0: Adaptive Mesh Generation for Biological Datasets |
| October 18, 2017 | -- | No Group Meeting |
| October 25, 2017 | -- | No Group Meeting |
| November 1, 2017 | Emilia Pecora de Barros | MD in protein design: insights from simulations of designed ligand-binding proteins |
| November 8, 2017 | -- | No Group Meeting |
| November 15, 2017 | -- | No Group Meeting |
| November 22, 2017 | -- | No Group Meeting |
| November 29, 2017 | Sarah Kochanek | Whole-Virion Simulation of Influenza Reveals Novel Druggable Pockets on Surface Glycoproteins |
| December 6, 2017 | -- | No Group Meeting |
| December 13, 2017 | Pek Ieong | Mechanistic insight on LpxH Cap Dynamic and Regulation |
| December 20, 2017 | -- | No Group Meeting |
| December 27, 2017 | -- | No Group Meeting |
| January 3, 2018 | -- | No Group Meeting |
| January 10, 2018 | Giulia Palermo | Molecular mechanism and rational design of the CRISPR-Cas9 system via computational methods |
| January 17, 2018 | -- | No Group Meeting |
| January 24, 2018 | Maria Kurnikova | Cancelled |
| January 31, 2018 | -- | No Group Meeting |
| February 7, 2018 | Christian Seitz | Developing a computational framework to bridge large scale chemical and biological complexity |
| February 14, 2018 | Abigail Dommer | Using molecular dynamics to investigate effects of carbon chain length on monolayers of homogenous, atmospherically-relevant fatty acids |
| February 21, 2018 | -- | No Group Meeting |
| February 28, 2018 | Dr. Paulo C.T. Souza | The Future Prospects of the Martini Force Field |
| March 7, 2018 | -- | No Group Meeting |
| March 14, 2018 | Maria Kurnikova | Molecular modeling of ligand gated ionotropic receptors, pH dependent protein unfolding and other issues of proteins at the membranes |
| March 21, 2018 | -- | No Group Meeting |
| March 28, 2018 | -- | No Group Meeting |
| April 4, 2018 | -- | No Group Meeting |
| April 11, 2018 | Gary Huber | TBD |
| April 18, 2018 | -- | No Group Meeting |
| April 25, 2018 | Ozlem Demir | A Closer Look at a Moving Target, APOBEC3B Enzyme |
| May 2, 2018 | -- | No Group Meeting |
| May 9, 2018 | Zied Gaieb | Re-thinking Drug Discovery |
| May 16, 2018 | -- | No Group Meeting |
| May 23, 2018 | Ashay Patel | Computer Simulations Elucidate the Differences in the Activities and Substrate Selectivities of E. coli β-hydroxyacyl-AcpP Dehydratases, FabA and FabZ |
| May 30, 2018 | -- | No Group Meeting |
| June 6, 2018 | -- | No Group Meeting |
| June 13, 2018 | Sanjib Senapati @12:30 PM | Biomolecules at dance: Short stories on lipid transfer mechanism of CETP and long-term stability of DNA |
| June 20, 2018 | Terra Sztainpedone | Iterating MD and NMR to understand effect of substrate attachment to ACP |
| June 27, 2018 | -- | No Group Meeting |
| July 4, 2018 | -- | No Group Meeting |
| July 11, 2018 | -- | No Group Meeting |
| July 18, 2018 | -- | No Group Meeting |
| July 25, 2018 | Mindy Huang | New method is coming: Replica-exchange GaMD |
| August 1, 2018 | -- | No Group Meeting |
| August 8, 2018 | Ben Jagger @ 1PM | Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach |
| August 15, 2018 | -- | No Group Meeting |
| August 22, 2018 | -- | No Group Meeting |
| August 29, 2018 | Kim McCabe | Multiscale Modeling of dATP Therapy in Cardiomyocytes |
| September 5, 2018 | Arjun Saha @12:30 | Development and Applications in Quantum Chemistry and Applications of Cheminformatics in Drug Discovery |
| September 12, 2018 | -- | No Group Meeting |
| September 19, 2018 | Wen Ma | Mechanochemical transduction and allostery in molecular motors studied by atomistic simulations at millisecond timescale |
| September 26, 2018 | -- | No Group Meeting |
| October 3, 2018 | Joanna Trylska | Designing oligonucleotides targeting bacterial RNA |
| October 10, 2018 | -- | No Group Meeting |
| October 17, 2018 | Sophia Hirakis | The implications of cardiac remodeling on the sub-cellular level: spatial inquiries through the lens of the computational microscope |
| October 24, 2018 | -- | No Group Meeting |
| October 31, 2018 | Sarah Kochanek | On the Structural Basis for Group 1 Influenza Hemagglutinin Inhibition by Arbidol |
| November 7, 2018 | -- | No Group Meeting |
| November 14, 2018 | Bryn Taylor @1pm | TBD |
| November 21, 2018 | -- | No Group Meeting |
| November 28, 2018 | No Group Meeting | |
| December 5, 2018 | Janssen Pharmaceutical @ 11:00 AM | McCammon, Amaro, Gilson joint meeting |
| December 12, 2018 | Lorenzo Casalino | TBD |
| December 19, 2018 | -- | No Group Meeting |
| December 26, 2018 | -- | No Group Meeting |
| January 16, 2019 | Christopher Lee | TBD |
| January 23, 2019 | -- | No Group Meeting |
| January 30, 2019 | Christian Seitz | TBD |
| February 6, 2019 | -- | No Group Meeting |
| February 13, 2019 | Mindy Huang @12 PM | TBD |
| February 20, 2019 | -- | No Group Meeting |
| February 27, 2019 | Joachim Dzubiella | TBD |
| March 6, 2019 | -- | No Group Meeting |
| March 13, 2019 | Shirley Ahn @12 PM | TBD |
| March 20, 2019 | -- | No Group Meeting |
| March 27, 2019 | -- | No Group Meeting |
| April 3, 2019 | Abigail Dommer | Biotransformation of Marine Aerosols |
| April 10, 2019 | -- | No Group Meeting |
| April 17, 2019 | Gary Huber | TBD |
| April 24, 2019 | -- | No Group Meeting |
| May 1, 2019 | Emilia Pecora de Barros | TBD |
| May 8, 2019 | -- | No Group Meeting |
| May 15, 2019 | Gary Huber | TBD |
| May 22, 2019 | -- | No Group Meeting |
| May 29, 2019 | --- | No Group Meeting |
| June 5, 2019 | -- | No Group Meeting |
| June 12, 2019 | Terra Stainpedone @ 12pm | TBD |
| June 19, 2019 | -- | No Group Meeting |
| June 26, 2019 | Alexandr Kornev | TBD |
| July 3, 2019 | -- | No Group Meeting |
| July 10, 2019 | Ozlem Demir | TBD |
| July 17, 2019 | -- | No Group Meeting |
| July 24, 2019 | Ashay Patel | TBD |
| July 31, 2019 | -- | No Group Meeting |
| August 7, 2019 | -- | No Group Meeting |
| August 14, 2019 | Prof. Andrea Cavalli | TBD |
| August 21, 2019 | -- | No Group Meeting |
| August 28, 2019 | -- | No Group Meeting (ACS in SD) |
| September 4, 2019 | -- | No Group Meeting |
| September 11, 2019 | -- | No Group Meeting |
| September 18, 2019 | Conor Parks | TBD |
| September 25, 2019 | -- | No Group Meeting |
| October 2, 2019 | -- | No Group Meeting |
| October 9, 2019 | Wen Ma | TBD |
| October 16, 2019 | -- | No Group Meeting |
| October 23, 2019 | Zied Gaieb | TBD |
| October 30, 2019 | -- | No Group Meeting |
| November 6, 2019 | Sarah Kochanek | TBD |
| November 13, 2019 | -- | No Group Meeting |
| November 20, 2019 | Ben Jagger | TBD |
| November 27, 2019 | -- | No Group Meeting |
| December 4, 2019 | Bryn Taylor | TBD |
| December 11, 2019 | Andy Mitchell | TBA |
| December 18, 2019 | -- | No Group Meeting |
| January 8, 2020 | Daniel Roston | TBD |
| January 15, 2020 | -- | No Group Meeting |
| January 22, 2020 | -- | No Group Meeting |
| January 29, 2020 | Abbgail Dommer | No Group Meeting |
| February 5, 2020 | -- | No Group Meeting |
| February 12, 2020 | -- | No Group Meeting |
| February 19, 2020 | -- | No Group Meeting |
| February 26, 2020 | Nick Wauer | TBD |
| March 4, 2020 | Clarisse Ricci | TBD |
| March 11, 2020 | -- | No Group Meeting |
| March 18, 2020 | Lorenzo Casalino | TBD |
| March 25, 2020 | Emilia Pecora de Barros | TBD |
| April 1, 2020 | -- | No Group Meeting |
| April 8, 2020 | -- | No Group Meeting |
| April 15, 2020 | Christian Seitz | TBD |
| April 22, 2020 | Mia Rosenfeld | TBD |
| April 29, 2020 | -- | No Group Meeting |
| May 6, 2020 | Shirley Ahn | TBD |
| May 20, 2020 | Terra Sztain | TBD |
| June 3, 2020 | Gary Huber | TBD |
| June 17, 2020 | Ashay Patel | TBD |
| July 1, 2020 | Conor Parks | TBD |
| July 15, 2020 | Anand Ohja | TBD |
| July 29, 2020 | Wen Ma | TBD |
| August 12, 2020 | Andy Stokely | TBD |
| August 26, 2020 | Andrew Tao | TBD |
| September 9, 2020 | Emilia Pecora de Barros | TBD |
| September 23, 2020 | Terra Sztain | TBD |
| October 7, 2020 | Shirley Ahn | TBD |
| October 28, 2020 | Clarisse Ricci | TBD |
| November 4, 2020 | Lorenzo Casalino | TBD |
| November 18, 2020 | Nick Wauer | TBD |
| December 2, 2020 | Simon Park | TBD |
| January 13, 2021 | Ozlem Demir | TBD |
| January 20, 2021 | Abby Dommer | TBD |
| January 27, 2021 | Christian Seitz | TBD |
| February 3, 2021 | Ashay Patel | TBD |
| February 10, 2021 | Wen Ma | TBD |
| February 24, 2021 | Shirley Ahn | TBD |
| March 3, 2021 | Gary Huber | TBD |
| March 10, 2021 | Anand Ojha | TBD |
| March 17, 2021 | Fiona Kearns | TBD |
| March 31, 2021 | Terra Sztain | TBD |
| April 14, 2021 | Mia Rosenfeld | TBD |
| April 21, 2021 | Andy Stokeley | TBD |
| April 28, 2021 | Lorenzo Casalino | TBD |
| May 5, 2021 | Clarisse Ricci | TBD |
| May 19, 2021 | Lane Votapka | TBD |
| June 9, 2021 | Simon Park | TBD |
| June 23, 2021 | Aashish Shivkumar | TBD |
| June 30, 2021 | Mac Kevin Braza | TBD |
| July 7, 2021 | Nick Wauer | TBD |
| July 14, 2021 | Kyle Li | TBD |
| July 21, 2021 | Clarisse Ricci | TBD |
| July 28, 2021 | Ozlem Demir | TBD |
| August 4, 2021 | Abby Dommer | TBD |
| August 11, 2021 | Naoya Asada | TBD |
| August 18, 2021 | Ashay Patel | TBD |
| September 1, 2021 | Wen Ma | TBD |
| September 8, 2021 | Fiona Kearns | TBD |
| September 15, 2021 | Christian Seitz | TBD |
| September 22, 2021 | Gary Huber | TBD |
| October 13, 2021 | Anand Ojha | TBD |
| October 20, 2021 | Shirley Ahn | TBD |
| October 22, 2021 | Asli Iliyaz | TBD |
| November 3, 2021 | Andy Stokeley | TBD |
| November 10, 2021 | Negin Forouzesh | TBD |
| November 17, 2021 | Ilker Deveci | TBD |
| November 22, 2021 | Meredith Rickard | TBD |
| December 1, 2021 | Ilker Deveci | TBD |
| December 8, 2021 | Simon Park | TBD |
| December 15, 2021 | Anand Ojha | TBD |
| January 12, 2022 | Open - no meeting | TBD |
| January 19, 2022 | Aakash Davasam | TBD |
| January 26, 2022 | Lorenzo Casalino | TBD |
| February 2, 2022 | Mia Rosenfeld | TBD |
| February 9, 2022 | Nick Wauer | TBD |
| February 16, 2022 | Javi Sanlley | TBD |
| February 23, 2022 | Xandra Nuqui | TBD |
| March 1, 2022 | Haixin Wei | TBD |
| March 2, 2022 | Vedran Markota | TBD |
| March 9, 2022 | No group meeting - open date | TBD |
| March 16, 2022 | Lane Votapka | TBD |
| March 23, 2022 | ACS - no meeting | TBD |
| March 30, 2022 | No group meeting - open date | TBD |
| April 6, 2022 | Special group meeting: Daniel Wigh | |
| April 12, 2022 | Ilker Deveci practice exam | |
| April 13, 2022 | Mo Shehata | TBD |
| April 20, 2022 | Special group meeting: Susan Taylor | TBD |
| April 27, 2022 | Ozlem Demir | TBD |
| May 4, 2022 | Ashay Patel | TBD |
| May 11, 2022 | Naoya Asada | TBD |
| May 18, 2022 | No group meeting | TBD |
| May 25, 2022 | No group meeting | TBD |
| June 1, 2022 | Wen Ma | TBD |
| June 8, 2022 | Fiona Kearns | TBD |
| June 15, 2022 | Patiemma Rubio | TBD |
| June 22, 2022 | Gary Huber | TBD |
| June 29, 2022 | Shirley Ahn | TBD |
| July 6, 2022 | Andy Stokely | TBD |
| July 13, 2022 | Ilker Deveci | TBD |
| July 20, 2022 | Simon Park | TBD |
| July 27, 2022 | Anand Ojha | TBD |
| August 3, 2022 | Xandra Nuqui | |
| August 10, 2022 | Ambuj Srivastava | |
| August 17, 2022 | Simon Park | |
| August 24, 2022 | No group meeting | |
| August 31, 2022 | Anand Ojha | |
| September 7, 2022 | Xandra Nuqui | |
| September 14, 2022 | Aakash Davasam | |
| September 21, 2022 | Mia Rosenfeld | |
| September 30, 2022 | No group meeting | |
| October 12, 2022 | Lorenzo Casalino | |
| October 19, 2022 | Nick Wauer | |
| October 26, 2022 | Ilker Deveci | |
| November 2, 2022 | Christian Seitz | |
| November 9, 2022 | Lane Votapka | |
| November 16, 2022 | Haixin Wei | |
| November 23, 2022 | No group meeting | |
| November 30, 2022 | Vedran Markota | |
| December 7, 2022 | Abby Dommer | |
| December 14, 2022 | Mo Shehata | |
| December 21, 2022 | No group meeting | |
| December 28, 2022 | No group meeting | |
| January 4, 2022 | No group meeting | |
| January 11, 2023 | Haixin Wei | |
| January 18, 2023 | Abby Dommer | |
| January 25, 2023 | Mac Kevin Braza | |
| February 1, 2023 | Mohamed Shehata | |
| February 8, 2023 | No meeting | |
| February 15, 2023 | Wen Ma | |
| February 22, 2023 | No meeting, Biophysical Society Annual Meeting | |
| February 23, 2023 | Aslihan Shenol Iliyaz at 12 NN - 1 PM | |
| March 1, 2023 | Javier Sanlley Hernandez | |
| March 8, 2023 | Clare Morris | |
| March 15, 2023 | Mia Rosenfeld | |
| March 22, 2023 | Fiona Kearns | |
| March 29, 2023 | No meeting, ACS Meeting | |
| April 5, 2023 | No meeting | |
| April 12, 2023 | Gary Huber | |
| April 19, 2023 | No meeting | |
| April 26, 2023 | Andy Stokely | |
| May 3, 2023 | No meeting | |
| May 10, 2023 | Vedran Markota | |
| May 17, 2023 | Anand Ojha | |
| May 24, 2023 | No meeting | |
| May 31, 2023 | Nicholas Wauer | |
| June 7, 2023 | No meeting | |
| June 14, 2023 | Rommie Amaro | |
| June 21, 2023 | Ambuj Srivastava | |
| June 28, 2023 | No meeting | |
| July 5, 2023 | Marcus Hock | |
| July 12, 2023 | No meeting | |
| July 19, 2023 | No meeting | |
| July 26, 2023 | Patiemma Rubio | |
| August 2, 2023 | No meeting | |
| August 9, 2023 | Simon Park | |
| August 16, 2023 | ACS at SF, No meeting | |
| August 23, 2023 | Rommie Amaro | |
| August 30, 2023 | Xandra Nuqui | |
| September 6, 2023 | Lane Votapka | |
| September 13, 2023 | No meeting | |
| September 20, 2023 | No meeting | |
| September 27, 2023 | Aakash Davasam | |
| October 4, 2023 | Willa Wang | |
| October 11, 2023 | Lane Votapka | |
| October 18, 2023 | Wen Ma | |
| October 25, 2023 | Lorenzo Casalino | |
| November 1, 2023 | Haixin Wei | |
| November 8, 2023 | Gary Huber | |
| November 15, 2023 | No meeting | |
| November 22, 2023 | No meeting | |
| November 29, 2023 | No meeting | |
| December 6, 2023 | No meeting | |
| December 13, 2023 | Mohamed Shehata | Computational-driven stabilization of proteins |
| December 20, 2023 | Caesar Tawfeeq (Prof. Susan Taylor’s group) | Structural and Mechanistic Insights into Subtype-Specific Protein Kinase A Subunits |
| December 27, 2023 | No meeting | |
| January 3, 2024 | No meeting | |
| January 10, 2024 | No meeting | |
| January 17, 2024 | No meeting | |
| January 24, 2024 | No meeting | |
| January 31, 2024 | No meeting | |
| February 7, 2024 | Alma C. Castaneda | Free Energy Calculations of the SARS-CoV-2 Helicase & Strategies for its Inhibition |
| February 14, 2024 | Patiemma Rubio | Characterization of Influenza Hemagglutinin and Neuraminidase Dynamics in Respiratory Aerosols |
| February 21, 2024 | Ashlyn Murphy | Characterizing the Effects of Glycosylation on HIV-1 Envelope Protein Dynamics and Interactions With Cervical Mucins |
| February 28, 2024 | Anson Noland | Informing Mesoscale Models with Kinetic Rate Constants from Multiscale Simulation |
| March 6, 2024 | Toheeb Balogun | Structural Insights into the Dynamics of Bat Coronavirus Spike Glycoprotein: Model Building |
| March 13, 2024 | Abigail Dommer | Abby’s Last Group Meeting: Multi-Scale Modeling of Bioaerosols |
| March 20, 2024 | No meeting | ACS New Orleans |
| March 27, 2024 | Simon Park | Computational Analysis of Nanosota and SARS-CoV-2 RBD interactions |
| April 3, 2024 | No meeting | |
| April 10, 2024 | Mia Rosenfeld | Mia’s Last Group Meeting |
