Vaidehi Lab Members
Professor and Chair, Department of Computational and Quantitative Medicine
Research interests: developing physics-based computational methods to study protein structure, dynamics and drug design
Staff Scientist
B.A. – Chemistry, Hanyang University, Seoul, Korea
M.S. – Physical Chemistry, Hanyang University, Seoul, Korea
Ph.D. – Physical Chemistry, University of Florida
Research interests: (1) development of biased ligand on angiotensin II type 1 (AT1R) GPCRs, (2) design of novel milder detergent for thermostabilized GPCRs
Postdoctoral Fellows
Soumadwip Ghosh, Ph.D.
B.Sc. – Chemistry, St. Xavier's College (autonomous) Kolkata, West Bengal, India
M.Sc. – Applied Chemistry, Indian Institute of Technology Dhanbad, Jharkhand, India
Ph.D. – Physical Chemistry, Indian Institute of Technology Bombay, Maharashtra, India
Research interests: identifying thermostable point mutations for GPCRs using energy scores and evolutionary constraints, aggregation propensity of chemokine receptors using classical MD simulations
B.E. – Chemical Engineering, Jadavpur University, Kolkata, India
M.Tech. – Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati, India
Ph.D. – Chemical Engineering, University of Kentucky, KY, USA.
Research interests: to develop and modify computational chemistry tools that can rapidly predict thermostabilizing mutations for membrane receptors, which is a critical step for receptor crystallization; understanding the stability of membrane receptors in various detergent micelles, important for protein extraction and purification
B.S. – Biology, Henan Normal University, Xinxiang, China
M.S. – Microbiology, Huaqiao University, Quanzhou, China
Ph.D. – Computational Chemistry, University of South Florida, Florida
Research interests: kinase dynamics simulation, GPCR-membrane simulation, conformational free energy simulation, method development.
B.Tech. – Bioinformatics, Vellore Institute of Technology University, Tamil Nadu, India
Ph.D. – Computational Chemistry, University of Georgia
Research interests: biased agonism using classical MD simulations, biased ligand design, studying the effects of allosteric communication in GPCRs using MD and AlloSteer, understanding the molecular basis for subtype selectivity and method development.
Graduate Students
B.A. – Biology, University of California Santa Barbara, Santa Barbara, California
M.S. – Biochemistry, California State University Northridge, Northridge, California
Ph.D. (in progress) – Biology, Irell & Manella Graduate School of Biological Sciences, City of Hope, Duare, California
Research interests: studying the molecular mechanisms of partial agonism and allostery in G protein coupled receptors, and how each process influences G protein selectivity
B.S. – Human Biology, University of California San Diego, San Diego, California
Ph.D. currently obtaining – Computational Biophysics, Irell & Manella Graduate School of Biological Sciences, City of Hope, Duarte, California
Research interests: delineating the structural features of the GPCR-G protein complex that lead to selective signaling to different G protein pathways
Research Associate
B.Sc. – Bioengineering, University of California Riverside, Riverside, California
Research interests: applying machine learning in the study of GPCR thermostability
Visiting Scholar
B.Sc. – Biomedical Engineering at Eindhoven University of Technology (TU/e), Eindhoven, Netherlands
M.Sc. – Biomedical Engineering at Eindhoven University of Technology (TU/e), Eindhoven, Netherlands
Research interests: investigating GPCR c-term binding to G-protein through molecular dynamics simulations