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Methods in Molecular Biology (Clifton, N.J.)|December 10, 2021
Computational Tools for Accurate Binding Free-Energy PredictionMaria M Reif, Martin ZachariasJournal of Computational Chemistry|November 20, 2013
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulationMaria M Reif, Chris OostenbrinkOncology Reports|March 10, 2006
Visual analysis of statistical results from microarray studies of human breast cancerDavid M Reif, Jason H MooreThe Journal of Chemical Physics|April 19, 2011
Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ionsMaria M Reif, Philippe H HünenbergerThe Journal of Chemical Physics|April 19, 2011
Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in waterMaria M Reif, Philippe H HünenbergerThe Journal of Physical Chemistry. B|May 14, 2016
Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity-Basity Scale RevisitedMaria M Reif, Philippe H HünenbergerToxicology and Applied Pharmacology|July 20, 2019
Determination of chemical-disease risk values to prioritize connections between environmental factors, genetic variants, and human diseasesMarissa B Kosnik, David M ReifStructure (London, England : 1993)|September 1, 2023
Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulationsMaximilian Kienlein, Martin Zacharias, Maria M ReifJournal of Chemical Theory and Computation|February 19, 2013
Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and ProteinsMaria M Reif, Moritz Winger, Chris OostenbrinkBiochemistry|September 27, 2012
Molecular insight into propeptide-protein interactions in cathepsins L and OMaria M Reif, Lukas Mach, Chris OostenbrinkPageof 24