| Date | Speaker | Title |
|---|---|---|
| January 3 | - | No Group Meeting |
| January 10 | Yongcheng Zhou | Elastic modeling of macromolecular conformational change |
| January 17 | Rommie Amaro | The AutoDock Talk! |
| January 24 | Yuhui Cheng | The development of the SMOL package |
| January 31 | - | No Group Meeting |
| February 7 | Benzhuo Lu | Electrostatics, density distribution, and diffusion |
| February 14 | David Minh | Applying Statistical Mechanics to the Interpretation of Biased Experiments |
| February 21 | Catherine Burt Pfizer |
Case Studies On The Application Of Computational Chemistry Techniques Within The Antivirals Therapeutic Area |
| February 28 | Alemayehu Gorfe Abebe | (i) lipidated peptides in membrane: free energy and structure perturbation (ii) dynamics of acetylcholinesterase tetramer |
| March 7 | - | No Group Meeting |
| March 14 | Arneh Babakhani | The dynamical and energetic properties of proteins in membranes |
| March 21 | Cesar Oliveira | Alanine Dipeptide in Aqueous Solution: Estimating kinetic rates from all-atom explicit solvent accelerated molecular dynamics simulations |
| March 28 | Eduard Mateescu | Minimal cells and the smallest bacterial genome - short review |
| April 4 | Barry Grant | Functional Dynamics of NTPases: A comparative study of different ATP and GTP binding proteins |
| April 11 | Donald Hamelberg | Sampling slow diffusive conformational fluctuations of proteins with accelerated molecular dynamics |
| April 18 | Sergio Wong | Past and present: loop dynamics during antibody maturation and thermodynamics of hot-spot residues in protein-protein interactions |
| April 25 | Ivalyo Ivanov | Global Collective Motions and Barriers to Ion Translocation in Receptors from the Cys-loop Family |
| May 2 | - | No Group Meeting |
| May 9 | Dave Cerrutti | Models for Solvated Biomolecular Systems |
| May 16 | Magdalena Gruziel University of Warsaw |
From microscopic MC simulations to macroscopic solvation models |
| May 23 | Yuhui Cheng | Multiscale Simulation of Biochemically Reacting Systems |
| May 30 | David Minh | Free Energy Reconstruction from Irreversible Single-Molecule Pulling Experiments |
| June 6 | Ilja Khavrutskii | How and why water enters a nanopore: a test case study |
| June 13 | David Zhang | Accelrys Discovery Studio 1.7 demo |
| June 20 | Xiaolin Cheng | Modeling of Ligand Recognition in nAChRs |
| June 27 | Rob Swift | Conformational Dynamics of the mRNA Capping Enzyme |
| July 4 | - | No Group Meeting |
| July 11 | Chia-en Chang | Changes in Entropy and Protein Dynamics in PKA and AKAP Binding |
| July 18 | - | No Group Meeting |
| July 25 | Ricardo Baron | Induced-fit in receptor-ensemble-based drug design: choice of ensemble and predictive power |
| August 1 | Gary Huber | UCBD: Toward scalable simulations of biomolecular interactions |
| August 8 | Sarah Williams | The study of the conformational dynamics of HIV-1 PR using Reversible Digitally Filtered Molecular Dynamics |
| August 15 | Adam Van Wynsberghe | Normal Mode Analysis: Validation, Application, and Instruction |
| August 22 | - | No Group Meeting |
| August 29 | Yongcheng Zhou | Electrostatic mediated neurotransmitter release |
| September 5 | Benzhou Lu | Toward more realistic and accurate continuum modeling |
| September 12 | Arneh Babakhani | Targeting the Acetylcholine Binding Protein: Molecular Dynamics and Docking |
| September 19 | Joe Dzubiella | Insights from unzipping a halophilic zipper |
| September 26 | Alemayehu Gorfe Abebe | Mapping the Nucleotide- and Isoform-Dependent Conformational States of GTPases |
| October 3 | - | No Group Meeting |
| October 10 | - | No Group Meeting |
| October 17 | Rommie Amaro | Investigations of the Avian Influenza Neuramindase |
| October 23 | - | No Group Meeting |
| October 31 | Cameron Mura | Molecular dynamics of a kB DNA element |
| November 7 | Neelesh A. Patankar | Brownian simulations with fluctuation hydrodynamics |
| November 14 | - | No Group Meeting |
| November 21 | Yuhui Cheng | Diffusional Channeling in the Sulfate Activating Complexes |
| November 28 | Thomas Leyh | Channeling in Sulfate Activating Complexes |
| December 4 | Seth Olsen | Photochemical pathways of animal pigment molecules: fluorescent protein chromophores and melanin building blocks |
| December 12 | Cesear Oliveira | 1. Differences in the Dynamic Behavior of Matrix Metalloproteinases Provides new Insights for the Design of Selective Inhibitors 2. Reversible Folding of TRP-Cage Protein by Accelerated Molecular Dynamics |