Eric J. Sorin, Ph.D.

Affiliations: 
2007 Stanford University, Palo Alto, CA 
Area:
theoretical methods to understand the physical properties of biological molecules
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"Eric Sorin"
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Vijay S. Pande grad student 2007 Stanford
 (Biomolecular assembly in silico: Using massively parallel simulations to probe protein and RNA folding dynamics.)
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Publications

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Bremer PL, De Boer D, Alvarado W, et al. (2020) Overcoming the Heuristic Nature of -means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes. Journal of Chemical Information and Modeling
Alvarado W, Ladd Bremer P, Choy A, et al. (2019) Understanding the Enzyme-Ligand Complex: Insights from All-Atom Simulations of Butyrylcholinesterase Inhibition. Journal of Biomolecular Structure & Dynamics. 1-17
Sorin EJ, Alvarado W, Cao S, et al. (2017) Ensemble Molecular Dynamics of a Protein-Ligand Complex: Residual Inhibitor Entropy Enhances Drug Potency in Butyrylcholinesterase. Bioenergetics : Open Access. 6
Q Nguyen KK, Gomez YK, Bakhom M, et al. (2017) Ensemble simulations: folding, unfolding and misfolding of a high-efficiency frameshifting RNA pseudoknot. Nucleic Acids Research
Thompson EJ, DePaul AJ, Patel SS, et al. (2010) Evaluating molecular mechanical potentials for helical peptides and proteins. Plos One. 5: e10056
DePaul AJ, Thompson EJ, Patel SS, et al. (2010) Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics. Nucleic Acids Research. 38: 4856-67
Monticelli L, Sorin EJ, Tieleman DP, et al. (2008) Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories. Journal of Computational Chemistry. 29: 1740-52
Sorin EJ, Pande VS. (2006) Nanotube confinement denatures protein helices. Journal of the American Chemical Society. 128: 6316-7
Sorin EJ, Rhee YM, Shirts MR, et al. (2006) The solvation interface is a determining factor in peptide conformational preferences. Journal of Molecular Biology. 356: 248-56
Fujitani H, Tanida Y, Ito M, et al. (2005) Direct calculation of the binding free energies of FKBP ligands. The Journal of Chemical Physics. 123: 084108
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