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Biophysical Chemistry|July 20, 2002
NO rebinding to myoglobin: a reactive molecular dynamics studyMarkus Meuwly, Oren M Becker, Roland Stote, et al.Journal of Chemical Theory and Computation|May 7, 2021
Transfer Learning to CCSD(T): Accurate Anharmonic Frequencies from Machine Learning ModelsSilvan Käser, Eric D Boittier, Meenu Upadhyay, et al.Chemical Science|November 25, 2022
Uncertainty quantification for predictions of atomistic neural networksLuis Itza Vazquez-Salazar, Eric D Boittier, Markus MeuwlyThe Journal of Biological Chemistry|May 3, 2011
Water-assisted proton transfer in ferredoxin IStephan Lutz, Ivan Tubert-Brohman, Yonggang Yang, et al.Chimia|June 1, 2026
High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum DynamicsValerii Andreichev, Jindra Dušek, Markus Meuwly, et al.The Journal of Chemical Physics|September 16, 2019
Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotationsUxía Rivero, Oliver T Unke, Markus Meuwly, et al.Journal of Computational Chemistry|June 27, 2014
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force fieldMike Devereux, Nohad Gresh, Jean-Philip Piquemal, et al.The Journal of Chemical Physics|August 2, 2024
SCN as a local probe of protein structural dynamicsSena Aydin, Seyedeh Maryam Salehi, Kai Töpfer, et al.The Journal of Physical Chemistry. A|July 25, 2024
High-Energy Reaction Dynamics of N3JingChun Wang, Juan Carlos San Vicente Veliz, Markus MeuwlyThe Journal of Physical Chemistry Letters|June 18, 2026
Toward Quantitative Reaction Dynamics of O3Raidel Martin Barrios, Abhirami Vijayakumar, Jingchun Wang, et al.Pageof 26