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The Journal of Physical Chemistry. B|January 14, 2015
Multipolar force fields and their effects on solvent dynamics around simple solutesSofie Jakobsen, Tristan Bereau, Markus MeuwlyJournal of Chemical Theory and Computation|November 21, 2015
Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular ParametersChristian Kramer, Peter Gedeck, Markus MeuwlyThe Journal of Physical Chemistry. A|August 18, 2009
Application of multipolar charge models and molecular dynamics simulations to study stark shifts in inhomogeneous electric fieldsMichael Devereux, Nuria Plattner, Markus MeuwlyJournal of Molecular Biology|November 9, 2007
All-atom simulations of structures and energetics of c-di-GMP-bound and free PleDFranziska F-F Schmid, Markus MeuwlyPrecision Chemistry|June 1, 2026
Compact Kernel/Neural Network Representation for Accurate, Fast, and Global Reactive Molecular Potential Energy SurfacesSilvan Käser, Debasish Koner, Markus MeuwlyThe Journal of Physical Chemistry. B|May 10, 2014
Computational analysis of methyl transfer reactions in dengue virus methyltransferaseTobias Schmidt, Torsten Schwede, Markus MeuwlyThe Journal of Physical Chemistry Letters|July 16, 2021
Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid WaterMeenu Upadhyay, Marco Pezzella, Markus MeuwlyPhysical Chemistry Chemical Physics : PCCP|May 27, 2022
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivityKai Töpfer, Silvan Käser, Markus MeuwlyJournal of Chemical Theory and Computation|November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics SimulationsTristan Bereau, Christian Kramer, Markus MeuwlyJournal of Chemical Information and Modeling|August 4, 2025
Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational SpaceLuis Itza Vazquez-Salazar, Markus MeuwlyPageof 41