| Date | Speaker | Title |
|---|---|---|
| January 8 | Yingkai Zhang UCSD |
A Direct Approach to Molecular Association: Application to the Hydrophobic Interaction |
| January 15 | David Zhang UCSD |
Structure-Based Design of Mutant Aminoacyl-tRNA Synthetases for Non-Natural Amino Acid Incorporation |
| January 22 | Jennifer Bui UCSD |
The Dynamics of Ligand Barrier Crossing Transitions Inside the Acetylcholinesterase Gorge |
| January 29 | Peter Sims UCSD |
The Design of CDK2 Inhibitors |
| February 5 | Jens Nielsen UCSD |
The Green Talk |
| February 12 | Julie Schames UCSD |
MMP Inhibitor Design - Experimentalists and Theoreticians Holding Hands |
| February 19 | Joanna Trylska UCSD |
Molecular Dynamics Simulations of the Reaction Catalysed by HIV-1 Protease |
| February 26 | Richard Law UCSD |
Modeling and Simulation of Aquaporins |
| March 12 | Hugh MacMillan UCSD |
Biochemical Systems Math |
| March 19 | Wibke Sudholt UCSD |
Quantum Chemical Estimation of Effective Local Dielectric Constants in Crystal Surroundings |
| April 3 | Ben Zhou Lu UCSD |
A Set of Scoring Functions From Mechanical Balance and Stability for Protein-protein Docking |
| April 10 | Haluk Resat Pacific Northwest National Lab |
Kinetic Simulation Studies of the EGF Receptor Signaling Pathways |
| April 24 | Gary Huber UCSD |
Figuring Out Probability Distributions |
| May 1 | J. Andrew McCammon UCSD |
Deciding Your Path in Life: Science or Trailer Park |
| May 8 | Stewart Adcock UCSD |
Thræd and Friends: A Protein Threading Toolkit |
| May 29 | Jennifer Bui UCSD |
The Jigglings and Wigglings of AChE in the Presence of its Inhibitors |
| June 5 | Stephen Bond/Alexei Podtelezhnikov UCSD |
Collisional Dynamics/Brownian Dynamics Simulations of the Ligand Escaping from the Gorge of AChE |
| June 12 | Donald Hamelberg UCSD |
DNA Minor Groove: Structure, Hydration and Cation Interaction |
| June 19 | Jason Suen UCSD |
Applications of Continuum Mechanics in Biomolecular Simulations |
| June 26 | Lynn Ten Eyck SDSC |
A collection of projects in molecular interactions and molecular structure analysis |
| July 1 | Alex Perryman UCSD |
Ensembleomics: Comparing the Dynamic Flexibilities of a w.t. and of a Drug-Resistant Mutant of HIV-1 Protease |
| July 11 | Jessica Swanson UCSD |
End-Point Free Energy Calculations, The Association Entopy, and Away . . . |
| July 18 | Richard Henchman UCSD |
Allosteric Transitions in Nicotinic Receptors, Their Rationale, and Beyond . . . |
| August 1 | Dave Cerutti Introduction by Peter Langhoff |
Free Energy Landscapes of Protein Interactions Leave no Stone Unturned |
| August 5 | Dave Sept Washington University |
A Recent Moment of Brilliance |
| August 8 | David Zhang UCSD |
Simulation of the Electrostatic Interaction Between the Protein Capsid and RNA in CCMV |
| August 15 | Cameron Mura UCSD |
3 parts SmAP + 2 parts NFkB |
| August 22 | John Mongan UCSD |
Constant pH Molecular Dynamics |
| August 29 | Joanna Trylska UCSD |
Electrostatic properties of the closed and open forms of the ribosome |
| September 4 | Julie Schames UCSD |
A Two Part Talk: Thoughts on the GRC Computer-Aided Drug Design Conference, and de Novo Design of MMP Inhibitors: Creative Thoughts Welcome! |
| September 11 | Tjerk Straatsma Pacific Northwest National Lab |
Molecular Basis for Microbial Adhesion to Mineral Surfaces |
| September 12 | Richard Law UCSD |
Big Yellow Balls and Little Greasy Holes |
| September 19 | Sanjib Senapati UCSD |
Computer simulation studies of fluorosurfactant based reverse micelles in supercritical carbon dioxide |
| September 26 | Yuhui Cheng UCSD |
Phosphoryl Transfer Mechanism in cAMP-Dependent Protein Kinase: application of ab initio QM/MM method |
| October 1 | Tongye Shen UCSD |
Motorized particles in localized phases |
| October 15 | Wibke Sudholt UCSD |
Electrostatic Fit of a Catalytic Antibody and Parameterization of a Group Difference Pseudopotential |
| October 22 | BenZhuo Lu UCSD |
MD simulation study on the forced release of ADP from the catalytic subunit of cAPK |
| October 29 | Stewart A. Adcock UCSD |
(1)Application of REM theory to analysis of protein threading results (2)Construction of all-atom protein models from low-resolution models (3)Allineate: Rapid protein structure alignment by a bipartite graph-matching algorithm |
| October 30 | Dr. Frank Brown UC Santa Barbara |
Simplified models for bio-memebrane structure and dynamics |
| November 5 | Justin Gullingsrud UCSD |
Molecular Dynamics Investigations of Mechanosensitive Channel Gating |
| November 19 | Valentina Tozzini UCSD |
(1)Modeling the optical switching in green fluorescent proteins (2) Coarse grained models for protein simulation |
| November 24 | Jennifer Bui UCSD |
Protein-Protein Interaction Induce Flexibility of the ACHE/FAS2 Complex |
| December 3 | Dave Case TSRI |
Force fields for explicit and implicit solvent simulations |
| December 10 | Donald Hamelberg UCSD |
Accelerated molecular dynamics of proteins: Preliminary studies of a promising and efficient sampling method |
| December 17 | Alexei Podtelezhnikov UCSD |
Brownian Dynamics simulations of a ligand escaping from the gorge attenuated by over-dumped harmonic gate |