McCammon Group Meeting Archive

2001

Date Speaker Title
January 3 Tongye Shen
UCSD
-
January 10 Alex Perryman
UCSD
-
January 17 Jennifer Bui
UCSD
-
January 24 Stephen Bond
UCSD
Geometric Integrators for Constant Temperature Molecular Dynamics
January 31 Larry Canino
UCSD
Evaluation of Boundary Forces Arising from the Non-linear Poisson-Boltzmann Equation
February 7 Yingkai Zhang
UCSD
Ab Initio QM/MM and Free Energy Calculations on Enzyme Reactions
February 14 Julie Schames
UCSD
Docking Inhibitor Models to MD Snapshots of HIV Integrase
February 21 Dimitri Morikis
UCSD
Proton Transfer Coupled to Native State Conformational Dynamics and Catalysis of GART
February 28 No Group Meeting -
March 6 Tina D. Poulsen
University of Aarhus, Denmark
Solvent Effects on Electronic Transitions and Molecular Properties
March 7 Richard Henchman
UCSD
Water Dynamics in Acetylcholinesterase
March 14 Haihong Ni
UCSD
MD Simulation Studies on the HIV-1 Integrase-5CITEP Complex
March 21 No Group Meeting -
March 28 No Group Meeting -
March 29 Anton Feenstra
University of Groningen
Hierarchy of Protein Motion and Folding
April 4 No Group Meeting -
April 9 Group Discussion -
April 16 Jeremy Kua
UCSD
Computational Studies of Heterogeneous Catalysis by Late Transition Metals
April 23 Ernesto Andrianantoandro
Salk/UCSD
Kinetics of End to End Actin Filament Annealing
May 4 Huafeng Xu
Columbia University
P3M Ewald/rRespa and its Application to the Study of Hydrogen Bond Dynamics
May 7 Group Discussion -
May 14 Johan Ulander
University of Houston
Accessing Macro from Micro, the Decay of Correlation Functions in Ionic Liquids
May 15 Nathan Baker
UCSD
Evaluating the Electrostatic Properties of Cellular Components
May 21 Jesus Izaguirre
Notre Dame University
Longer Timesteps in Molecular Dynamics Simulations
May 28 Dimitri Morikis
UCSD
pKa of PKA
June 4 Stephen Bond
UCSD
Report from the International Conference on Computational Science
June 11 Alexei Podtelezhnikov
UCSD
A Model of IN-DNA Complex Based on Hydrodynamic Properties of HIV-1 Integrase
June 18 No Group Meeting -
June 22 Simpson Joseph
UCSD
The Ribosome
June 25 Angela Scott
UCSD
PKC
July 2 Tongye Shen
UCSD
Association Rate Calculation with the Steady-State Smoluchowski Equation
July 9 Kaihsu Tai
UCSD
Development in Analyzing the Acetylcholinesterase Trajectories
July 16 Alex Perryman
UCSD
Initial Homology Modeling of the Type II Somatostatin Receptor
July 23 Group Discussion Various
July 30 Ernst-Walter Knapp
Free University of Berlin
Artificial Cytochrome b: Computer Modeling and Evaluation of Redox Potentials
August 6 Burak Aksoylu
UCSD
Adaptive Multilevel Numerical Methods with Applications in Diffusive Biomolecular Reactions
August 9 Larry Canino
UCSD
Does the GART Activation Loop Helix-Coil Transition have an On-Switch
August 13 Yingkai Zhang
UCSD
Affinity and Dynamics of Molecular Recognition
August 16 Volkhard Helms
Max-Planck Institute, Frankfurt
Green Fluoresent Protein Discussion
August 17 Volkhard Helms
Max-Planck Institute, Frankfurt
Q-HOP MD - Molecular Dynamics Simulations with Quantum Mechanically Derived Proton Hopping
August 20 Jeremy Kua
UCSD
Unfolding of the Helical Region of PKI(5-24) Using Stochastic Dynamics Simulations
August 27 Jung-Hsin Lin
UCSD
Anchoring Mechanisms of C2 Domains
September 3 No Group Meeting -
September 7 Ben McMahon
Los Alamos National Labs
Informal Protein Kinase Discussion
September 10 Jennifer Bui
UCSD
MD simulation of Acetylcholinesterase/TMA
September 17 Julie Schames
UCSD
The Role of Water and Protein Flexibility in Docking to HIV Integrase
September 24 Richard Henchman
UCSD
More Than You Would Ever Want to Know About Water Around Acetylcholinesterase
October 1 Jung-Hsin Lin
UCSD
Conference Report: Bridging the Time-Scale Gap
October 8 Jens Nielsen
UCSD
An Empirical Force Field and Methods for Predicting Protein Folding Nuclei
October 15 Group Discussion Research Manuals
October 19 Wonpil Im
Cornell
Ion Permeation Through OmpF Porin From Eschericha Coli: Theoretical Studies Using Molecular Dynamics, Brownian Dynamics, and the Electrodiffusion Theory
October 22 Literature -
October 29 No Group Meeting -
November 5 Hugh MacMillan
UCSD
Math is a Beach
November 14 Vassiliki-Alexandra Glezakou
SDSC
Considerations in Non-Adiabatic Chemistry
November 16 Robert S. Eisenberg
Rush Medical Center, Chicago
Selectivity in Ionic Channels: Electrostatics and Entropics of Confined Charged Spheres
November 19 Julie Mitchell
SDSC
Atomic Density Methods for Characterizing Molecular Shape and Shape Complementarity
November 26 Group Discussion Research Manuals
December 3 Robert Konecny
UCSD
Theoretical Insights into Mechanism of Silica Pathogenicity
December 10 No Group Meeting -
December 17 No Group Meeting -