Articles with public access mandates - M MeuwlyLearn more
Not available anywhere: 41
Atomistic simulation of adiabatic reactive processes based on multi-state potential energy surfaces
J Danielsson, M Meuwly
Journal of chemical theory and computation 4 (7), 1083-1093, 2008
Mandates: Swiss National Science Foundation
Reactive force fields for proton transfer dynamics
S Lammers, S Lutz, M Meuwly
Journal of computational chemistry 29 (7), 1048-1063, 2008
Mandates: Swiss National Science Foundation
Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations
J Braun, A Fouqueau, RJ Bemish, M Meuwly
Physical Chemistry Chemical Physics 10 (32), 4765-4777, 2008
Mandates: Swiss National Science Foundation
Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics
OT Unke, M Devereux, M Meuwly
The Journal of chemical physics 147 (16), 2017
Mandates: Swiss National Science Foundation
Molecular mechanics force field for octahedral organometallic compounds with inclusion of the trans influence
I Tubert-Brohman, M Schmid, M Meuwly
Journal of chemical theory and computation 5 (3), 530-539, 2009
Mandates: Swiss National Science Foundation
Ligand migration between internal docking sites in photodissociated carbonmonoxy neuroglobin
S Lutz, K Nienhaus, GU Nienhaus, M Meuwly
The Journal of Physical Chemistry B 113 (46), 15334-15343, 2009
Mandates: Swiss National Science Foundation, German Research Foundation
Transfer learning to CCSD (T): Accurate anharmonic frequencies from machine learning models
S Kaser, ED Boittier, M Upadhyay, M Meuwly
Journal of Chemical Theory and Computation 17 (6), 3687-3699, 2021
Mandates: Swiss National Science Foundation
Force field optimization using dynamics and ensemble averaged data: vibrational spectra and relaxation in bound mbco
M Devereux, M Meuwly
Journal of chemical information and modeling 50 (3), 349-357, 2010
Mandates: Swiss National Science Foundation
The role of water in the stability of wild-type and mutant insulin dimers
S Raghunathan, K El Hage, JL Desmond, L Zhang, M Meuwly
The Journal of Physical Chemistry B 122 (28), 7038-7048, 2018
Mandates: Swiss National Science Foundation
Diffusive dynamics on multidimensional rough free energy surfaces
P Banushkina, M Meuwly
The Journal of chemical physics 127 (13), 2007
Mandates: Swiss National Science Foundation
Application of multipolar charge models and molecular dynamics simulations to study stark shifts in inhomogeneous electric fields
M Devereux, N Plattner, M Meuwly
The Journal of Physical Chemistry A 113 (47), 13199-13209, 2009
Mandates: Swiss National Science Foundation
Atomistic simulations of CO vibrations in ices relevant to astrochemistry
N Plattner, M Meuwly
ChemPhysChem 9 (9), 1271-1277, 2008
Mandates: Swiss National Science Foundation
Overcoming the rare event sampling problem in biological systems with infinite swapping
N Plattner, JD Doll, M Meuwly
Journal of Chemical Theory and Computation 9 (9), 4215-4224, 2013
Mandates: Swiss National Science Foundation
Structure and dynamics of solvent shells around photoexcited metal complexes
JJ Szymczak, FD Hofmann, M Meuwly
Physical Chemistry Chemical Physics 15 (17), 6268-6277, 2013
Mandates: Swiss National Science Foundation
Structural identification of spectroscopic substates in neuroglobin
K Nienhaus, S Lutz, M Meuwly, GU Nienhaus
ChemPhysChem 11 (1), 119-129, 2010
Mandates: Swiss National Science Foundation, German Research Foundation
Vibrational spectroscopy and proton transfer dynamics in protonated oxalate
ZH Xu, M Meuwly
The Journal of Physical Chemistry A 121 (29), 5389-5398, 2017
Mandates: Swiss National Science Foundation
Vibrational Spectroscopy of N3– in the Gas and Condensed Phase
SM Salehi, D Koner, M Meuwly
The Journal of Physical Chemistry B 123 (15), 3282-3290, 2019
Mandates: Swiss National Science Foundation
Explicit hydrogen-bond potentials and their application to NMR scalar couplings in proteins
J Huang, M Meuwly
Journal of Chemical Theory and Computation 6 (2), 467-476, 2010
Mandates: Swiss National Science Foundation
Free energy simulations for protein ligand binding and stability
K El Hage, P Mondal, M Meuwly
Molecular Simulation 44 (13-14), 1044-1061, 2018
Mandates: Swiss National Science Foundation
MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO-and methane-containing clathrates
N Plattner, T Bandi, JD Doll, DL Freeman, M Meuwly
Molecular Physics 106 (12-13), 1675-1684, 2008
Mandates: Swiss National Science Foundation
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