Showing results (1-10 of 401) with videos related to
Sort By:
Pageof 41
Medchemcomm|July 1, 2011
Computational ligand-based rational design: Role of conformational sampling and force fields in model developmentJihyun Shim, Alexander D MackerellThe Journal of Physical Chemistry. B|May 14, 2011
Consensus 3D model of μ-opioid receptor ligand efficacy based on a quantitative Conformationally Sampled PharmacophoreJihyun Shim, Andrew Coop, Alexander D MacKerellThe Journal of Physical Chemistry. B|June 14, 2013
Molecular details of the activation of the μ opioid receptorJihyun Shim, Andrew Coop, Alexander D MacKerellJournal of Computational Chemistry|December 1, 2012
(Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parametersJihyun Shim, Xiao Zhu, Robert B Best, et al.Journal of Chemical Information and Modeling|May 16, 2012
Intrinsic energy landscapes of amino acid side-chainsXiao Zhu, Pedro E M Lopes, Jihyun Shim, et al.Bioorganic & Medicinal Chemistry|June 9, 2012
Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptorsLidiya Stavitskaya, Jihyun Shim, Jason R Healy, et al.Journal of Chemical Theory and Computation|January 25, 2014
Force Field for Peptides and Proteins based on the Classical Drude OscillatorPedro E M Lopes, Jing Huang, Jihyun Shim, et al.Journal of Chemical Theory and Computation|January 24, 2013
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral anglesRobert B Best, Xiao Zhu, Jihyun Shim, et al.ACS Chemical Neuroscience|May 30, 2013
Synthesis, modeling, and pharmacological evaluation of UMB 425, a mixed μ agonist/δ antagonist opioid analgesic with reduced tolerance liabilitiesJason R Healy, Padmavani Bezawada, Jihyun Shim, et al.Biophysical Journal|November 3, 2019
Ions Everywhere? Mg<sup>2+</sup> in the μ-Opioid GPCR and Atomic Details of Their Impact on FunctionAlexander D MacKerellPageof 41