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Journal of Computational Chemistry|May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependenceChristian Kramer, Peter Gedeck, Markus MeuwlyProteins|August 5, 2005
Study of the insulin dimerization: binding free energy calculations and per-residue free energy decompositionVincent Zoete, Markus Meuwly, Martin KarplusJournal of Computational Chemistry|December 12, 2007
Reactive force fields for proton transfer dynamicsSven Lammers, Stephan Lutz, Markus MeuwlyThe Journal of Chemical Physics|July 2, 2018
An efficient water force field calibrated against intermolecular THz and Raman spectraDavid Sidler, Markus Meuwly, Peter HammPhysical Chemistry Chemical Physics : PCCP|April 11, 2024
OH-Formation following vibrationally induced reaction dynamics of H2COOKaisheng Song, Meenu Upadhyay, Markus MeuwlyJournal of Chemical Theory and Computation|December 2, 2015
Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and AdaptationFranziska F-F Schmid, Markus MeuwlyThe Journal of Physical Chemistry Letters|February 15, 2020
Formation and Stabilization of Ground and Excited-State Singlet O2 upon Recombination of 3P Oxygen on Amorphous Solid WaterMarco Pezzella, Debasish Koner, Markus MeuwlyPhysical Chemistry Chemical Physics : PCCP|May 20, 2022
Quantitative molecular simulationsKai Töpfer, Meenu Upadhyay, Markus MeuwlyThe Journal of Physical Chemistry Letters|December 26, 2023
Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of syn-Acetaldehyde OxideMeenu Upadhyay, Kai Töpfer, Markus MeuwlyJournal of Molecular Biology|September 3, 2004
A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomerVincent Zoete, Markus Meuwly, Martin KarplusPageof 26