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Proteins|June 15, 2019
Driven to near-experimental accuracy by refinement via molecular dynamics simulationsLim Heo, Collin F Arbour, Michael Feig
Nature Communications|February 11, 2023
Direct generation of protein conformational ensembles via machine learningGiacomo Janson, Gilberto Valdes-Garcia, Lim Heo, et al.
Journal of Chemical Theory and Computation|February 10, 2021
Improved Sampling Strategies for Protein Model Refinement Based on Molecular Dynamics SimulationLim Heo, Collin F Arbour, Giacomo Janson, et al.
Critical Reviews in Biochemistry and Molecular Biology|August 25, 2021
Biosynthesis and trafficking of heme o and heme a: new structural insights and their implications for reaction mechanisms and prenylated heme transferElise D Rivett, Lim Heo, Michael Feig, et al.
Journal of Chemical Theory and Computation|January 6, 2023
Modeling Concentration-dependent Phase Separation Processes Involving Peptides and RNA via Residue-Based Coarse-GrainingGilberto Valdes-Garcia, Lim Heo, Lisa J Lapidus, et al.
The Journal of Physical Chemistry Letters|October 24, 2022
Characterizing Transient Protein-Protein Interactions by Trp-Cys Quenching and Computer SimulationsLim Heo, Kasun Gamage, Gilberto Valdes-Garcia, et al.
Methods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Implicit membrane models for membrane protein simulationMichael Feig
Journal of Chemical Theory and Computation|December 2, 2015
Is Alanine Dipeptide a Good Model for Representing the Torsional Preferences of Protein Backbones?Michael Feig
Journal of Chemical Information and Modeling|July 6, 2016
Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMDMichael Feig
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