Michael K. Gilson

1994-2009 Molecular and Cell Biology University of Maryland, College Park, College Park, MD 
 2010- Skaggs School of Pharmacy and Pharmaceutical Sciences University of California, San Diego, La Jolla, CA 
Statistical mechanics, molecular modeling, computer-aided drug design, chemical informatics
"michael k. gilson"
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Barry H. Honig grad student 1983-1987 Columbia
 (Theory of Electrostatic Interactions in Proteins.)
J. Andrew McCammon post-doc 1991-1994 University of Houston
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Ben-Shalom IY, Lin C, Kurtzman T, et al. (2019) Simulating Water Exchange to Buried Binding Sites. Journal of Chemical Theory and Computation
Gaieb Z, Parks CD, Chiu M, et al. (2019) D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings. Journal of Computer-Aided Molecular Design
Tallorin L, Wang J, Kim WE, et al. (2018) Discovering de novo peptide substrates for enzymes using machine learning. Nature Communications. 9: 5253
Zanette C, Bannan CC, Bayly CI, et al. (2018) Toward learned chemical perception of force field typing rules. Journal of Chemical Theory and Computation
Rizzi A, Murkli S, McNeill JN, et al. (2018) Overview of the SAMPL6 host-guest binding affinity prediction challenge. Journal of Computer-Aided Molecular Design
Li A, Gilson MK. (2018) Protein-ligand binding enthalpies from near-millisecond simulations: Analysis of a preorganization paradox. The Journal of Chemical Physics. 149: 072311
Chen SF, Huang NL, Lin JH, et al. (2018) Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate. Nature Communications. 9: 3085
Yin J, Henriksen NM, Muddana HS, et al. (2018) Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data. Journal of Chemical Theory and Computation
Slochower DR, Gilson MK. (2018) Motor-like Properties of Nonmotor Enzymes. Biophysical Journal. 114: 2174-2179
Zhao X, Palacci H, Yadav V, et al. (2018) Substrate-driven chemotactic assembly in an enzyme cascade. Nature Chemistry. 10: 311-317
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