MacKerell group, July 2017. Front row (L to R): Alex, Ozge, Shalini, Justin, Fang-yu, Asaminew.
Middle row (L to R): Aparoy, Wenbo, Jing, Wenjuan, Delin.
Back row (L to R): Kaushik, Sunhwan.



 

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



 

Postdocs

Asaminew Aytenfisu

Force Field Development

Ph.D. Physics, University of Rochester


 

Jing Huang

Force Field Development

Ph.D. Chemistry, University of Basel
B.S., M.S. Physics, Tsinghua University


 

Wenjuan Jiang

SILCS applications
Drug Design

Ph.D. Chemical Engineering, Syracuse University
M.Sc. Modelling and Simulation Engineering, Old Dominion University
B.Sc. Biomedical Engineering, Xi'an Jiaotong University


 

Sirish Kaushik Lakkaraju

Drug Design
Method Development

Ph.D. Biomedical Engineering, Texas A&M University
M.S., Biomedical Engineering, Texas A&M University
B.E., Electronics & Instrumentation Engineering, University of Madras


 

Justin A. Lemkul

Force Field Development

Ph.D. Biochemistry, Virginia Tech
B.S. Biochemistry, Virginia Tech


 

Delin Sun

Method, algorithm and force field development

Ph.D. University of New South Wales
M.Sc., B.Sc. South China University of Technology


 

Ozge Yoluk

Base Excision Repair
Drug Design

Ph.D. Biological Physics, Royal Institue of Technology
M.Sc. Applied Biotechnology, Uppsala University
B.Sc. Molecular Biology and Genetics, Istanbul University


 

Shalini Awasthi

Enhanced Sampling MD Methods
Computer-aided Drug Design
Force Field Development

Ph.D. Computational Chemistry, Indian Institute of Technology Kanpur
M.Sc. Chemistry, University of Lucknow
B.Sc. Chemistry-Botany, University of Lucknow


 

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 (Hons.), Banaras Hindu University, India


 

Graduate Students

Fang-Yu Lin

Drug Design
Force Field Development


 

Payal Chatterjee


 

Poonam Pandey

Visiting Student


 

Systems Programmer

Ronald Kasl



 


Former Lab Members

Victor Anisimov

Postdoctoral Fellow, University of Texas Health Science Center at Houston


Chayan Acharya

Postdoctoral Fellow, Université Bordeaux, France


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


Lei Fang


Nicolas Foloppe

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


Shannon Greene


Ignacio Soteras Gutiérrez


Olgun Guvench

Assistant Professor, University of New England


Bahru Habtimariam

Clinical Pharmacology Reviewer, US FDA


Elizabeth Hatcher

Director of Computational Chemistry, Cloud Pharmaceuticals


Xibing He

Postdoc, Temple University


Niu Huang

Assistant Professor, National Institute of Biological Sciences
Beijing, China


Madhurima Jana

Assistant Professor, National Institute of Technology Rourkela


Ganesh Kamath


Sibsankar Kundu

Lead Scientist, Connexios Life Sciences
Bangalore, India


Derek Lieske


Randy Bin Lin


Pedro Lopes


Alba Macias

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


Sairam S. Mallajosyula

Assistant Professor, Indian Institute of Technology Gandhinagar


Shanthi Nagarajan

Postdoc, Oregon Health Science University


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

Postdoctoral Fellow, Center for Computational Biology, University of Kansas


U. Deva Priyakumar

Assistant Professor, International Institute of Information Technology
Gachibowli Hyderabad, India


E. Prabhu Raman

BIOVIA


Carlos A. Ramirez


Alexey Savelyev


Jihyun Shim


Susil Silva

Senior Lecturer in Chemistry, University of Sri Jayewardenepura
Sri Lanka


Ashley Ringer

Department of Chemistry and Biochemistry
California Polytechnic State University


Meagan Small

Postdoctoral Research Fellow, Army Research Lab, Department of Defense


Moushine Tazi


Kenno Vanommeslaeghe

Assistant Professor, Vrije Universiteit Brussel


Igor Vorobyov

Postdoctoral fellow, UC Davis


Daxu Yin

Enterprise Data Management, Computer Sciences Corporation


Mingjun Yang

Chief Research Scientist, XTALPI


Shijun Zhong

Dalian University of Technology


Xiao Zhu


Alex
Postdocs
Grad Students
Alumni

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