McCammon Group Meeting Archive

2002

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