| Date | Speaker | Title |
|---|---|---|
| January 2 | - | No Group Meeting |
| January 9 | Donald Hamelberg | Sampling slow conformational switches in proteins beyond the microsecond timescale |
| January 16 | Ilja Khavrutskii | Ion permeation through the KcsA selectivity filter demystified. A transition path ensemble study. |
| January 23 | - | No Group Meeting |
| January 30 | - | No Group Meeting |
| February 6 | - | No Group Meeting |
| February 13 | Sergio Wong | Computational alanine scanning of the Colicin E9 Dnase/Im9 interface |
| February 13 | Dipesh Risal | Accelrys Discovery Studio & Pipeline Pilot |
| February 18 | Maciek Dlugosz | Association of aminoglycosidic antibiotics with the ribosomal A-site. Brownian dynamics simulation |
| February 27 | Barry Grant | Ras Nucleotide Dependent Dynamics: Tips and tricks for probing nucleotide dependent conformations |
| March 5 | - | Cancelled |
| March 12 | Ivalyo Ivanov | The interplay of AAA+ machines and sliding clamps at the DNA replication fork |
| March 19 | Tony Ivatec | Molecular dynamics simulations and membrane protein structure quality |
| March 26 | Zeyun Yu | Multiscale Modeling of Calcium Dynamics in Ventricular Myocytes: from Imaging to Simulation |
| April 2 | Rob Swift | Domain Gating in the mRNA Capping Enzyme |
| April 9 | Mickey Kosloff | Deciphering function and specificity in G-protein signaling |
| April 16 | Alemayehu Gorfe Abebe | Mechanisms of allostery and membrane attachment in Ras signaling: New insights from computations |
| April 23 | Arneh Babakhani | Computational Modeling of Membrane-Protein Systems |
| April 30 | Sarah Williams | Study of the dynamics and inhibition of M. tuber DXR - an enzyme of the non-melavonate pathway |
| May 7 | Adam Van Wynsberghe | Investigation of Thrombin-Thrombomodulin Binding Kinetics Using Brownian Dynamics Simulations |
| May 14 | Gory Ghosh | Current thoughts on the mechanism of IkappaB Kinase activation |
| May 21 | - | No Group Meeting |
| May 28 | Riccardo Baron | O2 diffusion into flavoproteins |
| June 4 | - | No Group Meeting |
| June 11 | Sanjib Senapati | Reverse Micellar Self Assembly and Ligand-Induced Protein Motions: Insights from Molecular Dynamics Simulations |
| June 18 | Yongcheng Zhou | Continuum modeling of electrostatic induced macromolecular deformation |
| June 25 | Gary Huber | Brownian Dynamics and Software Engineering: Tricks and Ideas |
| July 2 | Ben Zhou Lu | AFMPB: nanoscale electrostatics on PC |
| July 9 | Yuhui Cheng | The way toward exploring the self cleavage reaction mechanism in ribozymes: ab initio QM/MM approach |
| July 16 | - | No Group Meeting |
| July 23 | - | No Group Meeting |
| July 30 | Meghan Cain | Evolving Ligands: A quest for Neuraminidase Inhibitors |
| August 8 | - | No Group Meeting |
| August 13 | - | No Group Meeting |
| August 20 | Mikolai Fajer | Accelerating Free Energy Calculations with Replica Exchange Accelerated Molecular Dynamics |
| August 27 | Jacob Durrant | Identifying Secondary Targets of Recently Discovered TbREL1 Inhibitors |
| September 3 | Ilja Khavrutskii | Molecular mechanics of ion permeation and selectivity in the cell |
| September 10 | Phineus Markwick | Studying diverse dynamic processes of bio-molecular systems in the virtual laboratory |
| September 17 | Gustavo Seabra | Semi-empirical Methods Applied to Biological Molecules |
| September 24 | Rommie Amaro | Comparative Dynamics of Avian- and Human-Type Influenza Neuraminidases: A Generalized Born Molecular Dynamics Study |
| October 1 | Cesar Oliveira | I) Design of MMP2 inhibitors: Including Receptor Flexibility and Induced fit-Effects into Drug Design. II) Coupling Accelerated MD Methods with Thermodynamic Integration Simulations. |
| October 8 | - | No Group Meeting |
| October 15 | Morgan Lawrenz | Probing the Binding Free Energy for N1 Neuraminidase Inhibitor Peramivir |
| October 22 | Barry Grant | Probing Allosteric mechanisms in Ras: A nucleotide dependent role for loop3 |
| October 29 | James Halpert | Conformational Flexibility and Heterogeneity of Cytochromes P450 |
| November 5 | Jeff Wereszczynski | The Mechanism and Free Energy of Human Topoisomerase I |
| November 10 | Tony Ivatec | Conformational Dynamics of HIV-1 Reverse Transcriptase |
| November 19 | - | No Group Meeting |
| November 26 | Rob Swift | Population shifts, stochastic gating and substrate specificity in the PBCV-1 mRNA capping enzyme | December 3 | Arneh Babakhani | A Virtual Screening Study of the Acetylcholine Binding Protein Using a Relaxed-Complex Approach |
| December 10 | Ivaylo Ivanov | Specific recognition of the ring-opened state of proliferating cell nuclear antigen by replication factor C promotes eukaryotic clamp-loading |
| December 17 | - | No Group Meeting |
| December 24 | - | No Group Meeting |