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Jagdish Patel

Jagdish Patel

Research Assistant Professor


IRIC 333



Mailing Address

Dept. of Biological Sciences
University of Idaho
C/O IRIC 333
875 Perimeter MS 1122
Moscow, Idaho 83844-1122

  • Ph.D. Computational Chemistry/Molecular Modeling, Italian Institute of Technology, Genova, Italy, 2012
  • M.S. Drug Discovery, UCL - The School of Pharmacy, London, U.K., 2008
  • B.S. Pharmacology, The Oxford College of Pharmacy, Bangalore, India, 2006

  • G-protein coupled receptor modeling
  • Protein-Protein Interactions
  • Protein-Ligand Interaction
  • Evolution
  • Molecular Dynamics Simulations
  • Free Energy Calculations
  • Molecular Docking
  • Homology Modeling
  • Structure-Based Drug Design

I  earned my bachelor degree in Pharmacy at the Oxford College of Pharmacy in Bangalore, India. I went on to pursue MSc degree in drug discovery at the UCL-The School of Pharmacy, University of London in U.K. I then won a three year full scholarship from the University of Genova (Italy), which allowed me to gain Ph.D. degree in Computational Chemistry/Molecular Modeling at the Italian Institute of Technology, Genova, Italy. I worked as a research fellow for a year at the same institute. In the fall of 2015, I joined the Center for Modeling Complex Interactions at the University of Idaho as a postdoctoral fellow and worked for three years. In 2019, I was promoted and joined the Department of Biological Sciences as a research assistant professor.

  • Patel JS*, Brown CJ, Ytreberg FM, Stenkamp DL. Predicting peak spectral sensitivitiesof vertebrate cone visual pigments using atomistic molecular simulations. PLoS Comp.Biol. 2018.
  • Patel JS*, Ytreberg FM. Fast calculation of protein-protein binding free energy usingumbrella sampling with a coarse-grained model. J. Chem. Theory Comput. 2017.
  • Gonzalez AG, Hug SM, Rodriguez-Verdugo A, Patel, JS#, Gaut BS. The effect ofmutations in the Esherichia Coli transcription factor Rho under thermal stress. Mol.Biol. Evol. 2017.
  • Patel JS, Bertiotti A, Ronsisvalle S, Rocchia W, Cavalli A. Steered molecular dynamicssimulations for studying protein-ligand interaction in cyclin-dependent kinase5. J.Chem. Inf. Model. 2014.
  • Patel JS, Branduardi D, Masetti M, Rocchia W, Cavalli A. Insights into ligand – proteinbinding from local mechanical response. J. Chem. Theory Comput. 2011.
  • Haider SM, Patel JS, Poojari CS, Neidle S. Molecular modeling on inhibitor complexesand active-site dynamics of cytochrome P450 C17, a target for prostate cancer therapy.J. Mol. Biol. 2010.

Dr. Patel uses molecular dynamics and enhanced sampling techniques for studying "rare events" such as protein-ligand interactions, protein-protein interactions, folding/unfolding, and ion transfer via protein channels. He has experience in protein structure prediction using homology modeling, sequence analysis, modeling drug-target interactions using docking, virtual screening of libraries of small molecules against its target to identify 'hits' and prediction of their physio-chemical properties. He also performs free energy calculations to test the effects of mutations on molecular structure and is developing new approaches for calculating free energy with speed & accuracy and molecular dynamics simulations of systems involving protein, DNA and RNA molecular models.


Department of Biological Sciences

Physical Address:
Life Sciences South 252

Mailing Address:
875 Perimeter Drive MS 3051
Moscow, ID 83844-3051

Phone: 208-885-6280

Fax: 208-885-7905


Web: Department of Biological Sciences