Date | Speaker | Title |
---|---|---|
January 8 | Wibke Sudholt UCSD/SDSC |
Theoretical Studies on the Photoinduced Intramolecular Charge Transfer of a Prototype Organic Molecule in Vacuum and Solution |
January 15 | Group Discussion, How-to, Conferences | - |
January 22 | Stewart Adcock. UCSD |
TM-protein Modelling and Other Problems |
January 29 | Nathan Baker UCSD |
Finally: A Walkthrough of the Working APBS Code |
February 5 | Stephen Bond UCSD |
Spacetime Finite Elements |
February 12 | Tongye Shen UCSD |
Mechanical Unfolding of Titin |
February 19 | No Group Meeting | - |
February 26 | No Group Meeting | - |
March 5 | Alexei Podtelezhnikov UCSD |
Hydrodynamic Interactions in Brownian Dynamics |
March 12 | Alex Perryman UCSD |
Autodocking of Dinucleotides to the HIV-1 Integrase Core Domain: Exploring Possible Binding Sites For Viral and Genomic DNA |
March 19 | Seth Cohen UCSD |
Metal Ions in Proteins |
March 26 | Larry Canino UCSD |
Model For Protein B Factor Prediction |
March 29 | Ron Levy Rutgers University |
Some Interesting Problems Which Bridge Physical Chemistry & Bioinformatics |
April 3 | Yingkai Zhang UCSD |
Role of the Catalytic Triad and Oxyanion Hole in Acetylcholinesterase Catalysis: An ab initio QM/MM Study |
April 10 | No Group Meeting | - |
April 17 | Jeremy Kua UCSD |
Studying Enzyme Binding Specificity in Acetylcholinesterase using a Combined Molecular Dynamics and Multiple Snapshot Docking Approach |
April 23 | Cameron Mura UCLA |
Crystallographic Studies of Protein Structure and Function |
May 1 | Jennifer Bui UCSD |
The Dynamics of Ligand Barrier-Crossing Transitions Inside the Acetylcholinesterase Gorge |
May 8 | Jung-Hsin Lin UCSD |
The Relaxed Complex Method: A New Computational Methodology for Drug Design |
May 15 | Julie Schames UCSD |
HIV Integrase Inhibitor Design: Some Initial Results |
May 22 | Jens Nielsen UCSD |
Calculating pKa Values in Enzyme Active Sites |
May 29 | Kaihsu Tai UCSD |
Finite Element Simulation of the Neuromuscular Junction |
June 5 | Richard Henchman UCSD |
Describing Protein Dynamics Using Domains |
June 12 | Chung Wong UCSD |
Studying Helical Propensity by Molecular Simulation and Structural Database Analysis |
June 19 | Hugh MacMillan UCSD |
what i been thinking 'bout |
June 26 | Kristin Toendel UCSD |
Homology Modeling of Protein Kinase |
July 3 | McCammon Group | 4th July Preparation |
July 10 | Jessica Swanson UCSD |
The Chemical Physics Summer School: a Survey of the Material Presented and Some Interesting Highlights |
July 17 | Eric Scheeff SDSC |
Applying Protein Multiple Structural Alignments to Sequence Search and Fold Recognition |
July 24 | Freddie Salsbury TSRI |
Probing the Electrostatics of Proteins Using Generalized Born |
July 31 | Andreas Vitalis UCSD |
What I've been doing most of the time. |
August 7 | Huan-Xiang Zhou Florida State University |
Modeling Electrostatic Interactions In the Folded and Unfolded States of Proteins |
August 14 | Wibke Sudholt UCSD |
Simple Models for Enzyme-Like Catalysis |
August 21 | - | No group meeting |
August 28 | Stewart Adcock UCSD |
Spliff |
September 4 | Dave Cerutti/Literature UCSD |
Ion Atmospheres around Biomolecules - Effect of Biomolecular Dielectric |
September 11 | Short Talks | Various |
September 18 | Alexei Podtelezhnikov UCSD |
From Qualitative to Quantitative electrostatics with APBS. Modeling HIV-I Integrase and Vaccinia Topoisomerase |
September 25 | - | No group meeting |
October 2 | Jessica Swanson UCSD |
Free Energy Methodology Mostly Explored |
October 9 | Alex Perryman UCSD |
Preliminary Results of and Possible Plans for Studies on HIV-1 Protease |
October 16 | - | No group meeting |
October 23 | - | No group meeting |
October 30 | Stephen Bond UCSD |
Algorithms for Collisional Dynamics with Long Range Forces and Constraints |
November 6 | Jason Suen UCSD |
Multiscale Modeling of Complex Fluids: A Coupled Wavelet-Galerkin Finite-Element Analysis For Viscoelastic Flows Simulations With Molecular Models |
November 13 | Cameron Mura UCSD |
Structure and Assembly of an Augmented Sm-like Archaeal Protein (SmAP3) |
November 20 | Dimitri Morikis UCR |
Immunophysics of the Complement System: a Computational Modeling Approach |
November 27 | Various | Short Talks |
December 4 | Richard Henchman UCSD |
A Liquid State Partition Function Combining Cell Theory and Computer Simulation |
December 11 | Barry Grant York |
Kinesin Motor Mechanics |
December 18 | Larry Canino UCSD |
Protein Design Through Simulated Evolution |
December 25 | - | No Group Meeting |