Researchers

Photos

Martin Karplus Symposium, April 2005 (cocktail hour)

Summer 2003

All Researchers

Alexander D. MacKerell, Jr., Professor

Postdoctoral Fellows

Victor Anisimov
Force Field Development

Olgun Guvench
Drug Design
Protein structure-function relationships
Force Field Development

Ganesh Kamath
Drug Design
Force Field development

Pedro Lopes
Simulation of Silica surfaces
ab initio MD
Force Field development
Drug design

U. Deva Priyakumar
DNA, RNA and protein simulations
DNA base flipping elucidation
Drug design

Kenno Vanommeslaeghe
Drug Design
Force Field Development

Shijun Zhong
Drug Design: screening, QSAR, method development
Protein Structure Simulation
Database Management
Parameters for small molecules

Graduate Students

Chayan Acharya
Pharmacophore development
Opioid and Bile Acid Structure Function Relationships
Protein MD simulations
Drug design

Carlos A. Ramirez
Pharmacophore Development
Force Field development

Xiao Zhu
Drug design
DNA and Protein MD simulations
Force field development

PharmD and Undergraduate Students

Nilesh Banavali: DNA simulations, Force Field Development

Denzil Bernard: Drug Design,  Opioid Structure-Function Relationships

Ijen Chen: Drug Design, Force Field Development

Sam Ch: Force Field Development, Protein-ligand interactions

Sasha Gelman Besselman: Force Field Development

Nicolas Foloppe: Nucleic acid Structure-Function Relationships, Force Field Development

Bahru Habtimariam: Drug Design, MD simulations of Protein-DNA interactions

Niu Huang: Drug Design, Force Field development, DNA base flipping elucidation

Sibsankar Kundu: Force Field Development

Derek Lieske: Cocaine Structure-Activity Relationships, RNA simulations

Alba Macias: DNA simulations, QM structure-activity relationships

Yongping Pan: Drug Design, RNA simulation

Susil Silva: DNA Structure-Function Relationships

Moushine Tazi: Force Field Development

Igor Vorobyov: Force Field Development

Daxu Yin: Force Field Development, Pharmacophore Modeling