Professor Alex MacKerell

Director, Computer-Aided Drug Design Center

Professor of Pharmaceutical Sciences

Download CV [cv.pdf]

Group Pictures

Postdocs

Victor Anisimov

Force Field Development

Eva Darian

Drug Design

Force Field Development

Olgun Guvench

Drug Design

Protein Structure-function Relationship

Force Field Development

Elizabeth Hatcher

Drug Design

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 Simulations

Drug Design

Kenno Vanommeslaeghe

Drug Design

Force Field Development

Shijun Zhong

Drug Design: Screening, QSAR, Method Development

Protein Structure Simulations

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

Jihyun Shim

Crystal Calculations of NMA

Network Administrator

Ronald Kasl

Former Lab Memebers

Nilesh Banavali

Assistant Professor, Department of Biomedical Sciences, SUNY Albany

Denzil Bernard

Postdoctoral Fellow, University of Michigan

Sasha Gelman Besselman

Ijen Chen

Senior Scientist II, Vernalis R&D Ltd. Cambridge, UK

Sam Cho

Nicolas Foloppe

Senior Scientist, Vernalis R&D Ltd. Cambridge, UK

Shannon Greene

Bahru Habtimariam

Niu Huang

Assistant Professor, National Institute of Biological Sciences, Beijing, China

Sibsankar Kundu

Lead Scientist, Connexios Life Sciences, Bangalore, India

Derek Lieske

Alba Macias

Senior Scientist, Vernalis R&D Ltd. Cambridge, UK

Yongping Pan

Scientist, National Cancer Institute

Susil Silva

Senior Lecturer in Chemistry, University of Sri Jayewardenepura, Sri Lanka

Moushine Tazi

Igor Vorobyov

Postdoctoral fellow, UC Davis

Daxu Yin

Enterprise Data Management, Computer Sciences Corporation