MacKerell group, February 2024.
(Top - L to R): Erik, Mingtian, Alex, Prabin, Yang, Xiaojing, Wenbo, Anmol
(Bot - L to R): Suvankar, Anastasia, Jihyeon, Yiling



 

Professor Alex MacKerell

Grollman-Glick Professor of Pharmaceutical Sciences
Director, Computer-Aided Drug Design Center
University of Maryland
School of Pharmacy
20 Penn Street, Room 633
Baltimore MD, 21201
410-706-7442, Fax, 410-706-5017
email: alex "at" outerbanks.umaryland.edu

Curriculum Vitae



 

Research Assistant Professor

Wenbo Yu

Drug Design
Force Field Development
Biomolecular simulation

Ph.D. Condensed Matter Physics, Hefei National Laboratory for Physical Sciences at the Microscale
B.Sc. Condensed Matter Physics, University of Science and Technology of China



 

Postdoctoral Fellows

Anmol Kumar

Electrostatic Potential Topology for Atoms
Force Field Development

Ph.D. Computational Chemistry, IIT Kanpur, India
M.Sc. Chemistry, University of Hyderabad, India
B.Sc. Chemistry (Honors), Banaras Hindu University, India


Mingtian Zhao


GPU Development of Molecular Dynamic Simulations

Ph.D. Condensed Matter Physics, Nankai University, China


Prabin Baral

Ph.D. Biophysics, Florida International University
M.Sc. Physics, Florida International University
B.Sc. Physics, Tribhuvan University, Nepal


Yiling Nan

Ph.D. Civil and Environmental Enginering, University of Alberta
M.Sc. Chemistry and Biotechnology, The University of Tokyo
B.Sc. Chemical Engineering, Tsinghua University


Anastasia Croitoru

Ph.D. Institut Polytechnique de Paris
M.Sc. Paris-Sud University (Paris XI)
M.Sc. University Pierre et Marie Curie
B.Sc. University de Poitiers


Erik Nordquist

Computer-aided drug design
PROTACs/Molecular Glues
Cancer Biology

Ph.D. Chemistry, University of Massachusetts Amherst
B.Sc. Chemistry and Physics, The College of Idaho


Xiaojing Teng

Ph.D. Biomedical Engineering, Texas A&M University, College Station, Texas
M. E., Biomedical Engineering, Beihang University, Beijing, China
B. E., Bioengineering, Beihang University, Beijing, China


Suvankar Ghosh

Ph.D. Computational Biology, Indian Institute of Technology, Guwahati, India
M.Tech. Bioinformatics, West Bengal University of Technology, India
B.Tech. Biotechnology, Bengal College of Engineering and Technology, India


Ge Yang

Ph.D. Theoretical and Computational Chemistry, Nanjing University, China
M.Sc. Theoretical and Computational Chemistry, East China University of Science and Technology, China
B.Sc. Chemical Engineering, Taiyuan University of Technology, China


Ashlin James Poruthoor

Ph.D. Biophysics, University of Rochester, NY
M.Sc. Biophysics, University of Rochester, NY
M.Sc. Physics, NIT Calicut, India
B.Sc. Physics, St.Stephen's College (Honors), University of Delhi, India



Ph.D. Graduate Students

Jihyeon Lee

Empirical Force Field Development: Polarizable Drude Oscillator Model


Suliman Sharif

Construction of a General Binary Mixed Solvent Model to Ameliorate Lennard-Jones Parameters in the Empirical Force Field



Systems Administration

Ronald Kasl



Former Lab Members

Asuka Orr

Applications Scientist at SilcsBio LLC

Shashi Kumar

Postdoctoral Fellow, Georgia State University

Payal Chatterjee

Principal Scientist at Cogen Biosciences

Miroslava Nedyalkova

Assistant Professor, Chemistry Department, Sofia University

Mert Yigit Sengul

Consultant, AI, Computational Chemistry, and Engineering

Gene Chong

Senior Editor, Nature Chemical Biology

Poonam Pandey

Bioinformatics/AI, Elsevier

Anthony Hazel

Clinical Pharmacology Policy Analyst, FDA

Himanshu Goel

Research Scientist II, Henry M. Jackson Foundation

Christoffer Lind

Senior Scientist I, Evotec

Abhishek A. Kognole

Scientist, SilcsBio LLC

Asaminew Aytenfisu

Senior Scientist II at ReviR Therapeutics

Ozge Yoluk

Senior Scientist, AstraZeneca

Fang-Yu Lin

Principal Scientist, Pfizer

Vincent D. Ustach

Data Scientist at GeneDx

Chayan Acharya

Senior Consultant at Pharmetheus

Shalini Awasthi

Scientist, Eli Lilly

Chris Baker

Computational Chemist, Syngenta

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

Assistant Professor, Wake Forest University

Eva Darian

Elizabeth Denning

Negar Parvizi

Delin Sun

Postdoctoral Fellow, LLNL

Lei Fang

Computational Chemist, XtalPi Inc.

Nicolas Foloppe

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

Shannon Greene

Ignacio Soteras Gutiérrez

Olgun Guvench

Associate Professor, University of New England

Bahru Habtimariam

Clinical Pharmacology Reviewer, US FDA

Elizabeth Hatcher

Director of Computational Chemistry, Cloud Pharmaceuticals

Xibing He

Research Associate, University of Pittsburgh

Jing Huang

Assistant Professor, Westlake Institue for Advanced Studt Hangzhou, Zhejiang, China

Niu Huang

Principal Investigator, National Institute of Biological Sciences, Beijing, China

Madhurima Jana

Associate Professor, National Institute of Technology Rourkela

Wenjuan Jiang

Computational Chemist, Shenzhen Salubris Pharmaceuticals

Ganesh Kamath

Victor Anisimov

Postdoctoral Fellow, University of Texas Health Science Center at Houston

Sibsankar Kundu

Lead Scientist, Connexios Life Sciences Bangalore, India

Sirish Kaushik Lakkaraju

Senior Principal Scientist, Bristol Myers Squibb

Justin Lemkul

Associate Professor, Virginia Tech

Derek Lieske

Faculty, The Key School

Randy Bin Lin

Pedro Lopes

CSO and Founder of FastCompChem, Lda

Alba Macias

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

Sairam S. Mallajosyula

Associate Professor, Indian Institute of Technology Gandhinagar

Shanthi Nagarajan

Scientist, Eli Lilly

Muhammad Saad Noon

Research Computing/Bioinformatics Specialist, Arizona Research Laboratories

Taiji Oashi

Research Scientist, Kyowa Hakko Kirin Co.

Yongping Pan

Scientist, National Cancer Institute

Dhilon Patel

Senior Research Scientist, Curia

U. Deva Priyakumar

Professor, International Institute of Information Technology, Hyderabad, India

E. Prabhu Raman

Director, Computational Chemistry, Nurix Therapeutics

Carlos A. Ramirez

Alexey Savelyev

Assistant Research Professor, University of Montana

Jihyun Shim

R&D Strategy Specialist, CJ CheilJedang

Susil Silva

Senior Lecturer in Chemistry, University of Sri Jayewardenepura Sri Lanka

Ashley Ringer McDonald

Professor, California Polytechnic State University

Meagan Small

Computational Chemist, US Army Research Lab, Department of Defense

Moushine Tazi

Sreya Mukherjee

Kenno Vanommeslaeghe

Associate Professor, Vrije Universiteit, Brussel

Igor Vorobyov

Assistant Professor, UC Davis

Daxu Yin

Enterprise Data Management, Computer Sciences Corporation

Mingjun Yang

Chief Research Scientist, XtalPi Inc.

Shijun Zhong

Professor, Dalian University of Technology

Xiao Zhu

Director, Kymera Therapeutics


Alex
Postdocs
Grad Students
Visiting Researchers
Alumni

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