McCammon Group Meeting Archive

2003

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