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Journal of Chemical Theory and Computation|November 21, 2015
A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics SimulationsMike Devereux, Shampa Raghunathan, Dmitri G Fedorov, et al.The Journal of Physical Chemistry. B|October 27, 2009
Ligand migration between internal docking sites in photodissociated carbonmonoxy neuroglobinStephan Lutz, Karin Nienhaus, G Ulrich Nienhaus, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 5, 2009
Structural identification of spectroscopic substates in neuroglobinKarin Nienhaus, Stephan Lutz, Markus Meuwly, et al.The Journal of Chemical Physics|November 11, 2024
Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6Kai Töpfer, Shyamsunder Erramilli, Lawrence D Ziegler, et al.Proteins|August 31, 2006
How inaccuracies in protein structure models affect estimates of protein-ligand interactions: computational analysis of HIV-I protease inhibitor bindingHolmfridur B Thorsteinsdottir, Torsten Schwede, Vincent Zoete, et al.Physical Chemistry Chemical Physics : PCCP|August 9, 2008
Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulationsJörg Braun, Antony Fouqueau, Raymond J Bemish, et al.Journal of Cheminformatics|May 25, 2019
Capturing mixture composition: an open machine-readable format for representing mixed substancesAlex M Clark, Leah R McEwen, Peter Gedeck, et al.ACS Omega|September 9, 2021
Using Machine Learning to Parse Chemical Mixture DescriptionsAlex M Clark, Peter Gedeck, Philip P Cheung, et al.Journal of Chemical Information and Modeling|September 12, 2019
Nonadditivity AnalysisChristian KramerNanomedicine (London, England)|August 25, 2007
Insulin: a model system for nanomedicine?Manuela Koch, Franziska F-F Schmid, Vincent Zoete, et al.Pageof 34