|
ID
|
Author
|
Year
|
Title
|
Publisher
|
| 2834800 |
Devereux, Mike; Raghunathan, Shampa; Fedorov, Dmitri G.; Meuwly, Markus |
2014 |
A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations |
Journal of Chemical Theory and Computation |
| 2834792 |
Devereux, Mike; Gresh, Nohad; Piquemal, Jean-Philip; Meuwly, Markus |
2014 |
A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field |
Journal of Computational Chemistry |
| 3719791 |
Hédin, Florent; El Hage, Krystel; Meuwly, Markus |
2016 |
A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations |
Journal of Chemical Information and Modeling |
| 3402680 |
Cazade, Pierre-Andre; Zheng, Wenwei; Prada-Gracia, Diego; Berezovska, Ganna; Rao, Francesco; Clementi, Cecilia; Meuwly, Markus |
2015 |
A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks. |
Journal of Chemical Physics |
| 490636 |
Yang, Yonggang; Meuwly, Markus |
2010 |
A generalized reactive force field for nonlinear hydrogen bonds : hydrogen dynamics and transfer in malonaldehyde |
Journal of Chemical Physics |
| 4527446 |
Unke, Oliver T.; Meuwly, Markus |
2018 |
A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information |
Journal of Chemical Physics |
| 4601924 |
Koner, Debasish; San Vicente Veliz, Juan Carlos; Bemish, Raymond J.; Meuwly, Markus |
2020 |
Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N; 2; O and dynamics for the N + NO ↔ O + N; 2; and N; 2; + O → 2N + O reactions |
Physical Chemistry Chemical Physics |
| 84355 |
Schmid, Franziska F-F; Meuwly, Markus |
2007 |
All-atom simulations of structures and energetics of c-di-GMP-bound and free PleD |
Journal of Molecular Biology |
| 4527445 |
Sidler, David; Meuwly, Markus; Hamm, Peter |
2018 |
An efficient water force field calibrated against intermolecular THz and Raman spectra |
Journal of Chemical Physics |
| 84344 |
Devereux, Michael; Meuwly, Markus |
2009 |
Anharmonic coupling in molecular dynamics simulations of ligand vibrational relaxation in bound carbonmonoxy myoglobin |
Journal of Physical Chemistry B |
| 84345 |
Devereux, Michael; Plattner, Nuria; Meuwly, Markus |
2009 |
Application of Multipolar Charge Models and Molecular Dynamics Simulations to Study Stark Shifts in Inhomogeneous Electric Fields |
Journal of Physical Chemistry A |
| 1018007 |
Schmid, Maurus; Nogueira, Elisa S.; Monnard, Fabien W.; Ward, Thomas R.; Meuwly, Markus |
2012 |
Arylsulfonamides as Inhibitors for Carbonic Anhydrase : Prediction & Validation |
Chemical Science |
| 1519796 |
Kramer, Christian; Gedeck, Peter; Meuwly, Markus |
2012 |
Atomic multipoles : electrostatic potential fit, local reference axis systems, and conformational dependence |
Journal of Computational Chemistry |
| 461252 |
Mishra, Sabyashachi; Meuwly, Markus |
2010 |
Atomistic Simulation of NO Dioxygenation in Group~I Truncated Hemoglobin |
Journal of the American Chemical Society |
| 4660793 |
Meuwly, Markus |
2022 |
Atomistic Simulations for Reactions and Vibrational Spectroscopy in the Era of Machine Learning - Quo Vadis? |
Journal of Physical Chemistry B |
| 1519804 |
Cazade, Pierre-Andre; Huang, Jing; Yosa, Juvenal; Szymczak, Jaroslaw J.; Meuwly, Markus |
2012 |
Atomistic simulations of reactive processes in the gas- and condensed-phase |
International Reviews in Physical Chemistry |
| 3719790 |
Das, A K; Meuwly, M |
2016 |
Chapter Two – Empirical Force Fields for Mechanistic Studies of Chemical Reactions in Proteins |
Methods in Enzymology |
| 3402674 |
Schmidt, Hauke C.; Spulber, Mariana; Neuburger, Markus; Palivan, Cornelia G.; Meuwly, Markus; Wenger, Oliver S. |
2016 |
Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds |
Journal of Organic Chemistry |
| 4527458 |
Wörner, Hans Jakob; Arrell, Christopher A.; Banerji, Natalie; Cannizzo, Andrea; Chergui, Majed; Das, Akshaya K.; Hamm, Peter; Keller, Ursula; Kraus, Peter M.; Liberatore, Elisa; Lopez-Tarifa, Pablo; Lucchini, Matteo; Meuwly, Markus; Milne, Chris; Moser, Jacques-E.; Rothlisberger, Ursula; Smolentsev, Grigory; Teuscher, Joël; van Bokhoven, Jeroen A.; Wenger, Oliver |
2017 |
Charge migration and charge transfer in molecular systems |
Structural Dynamics |
| 3719793 |
Unke, Oliver T.; Castro-Palacio, Juan Carlos; Bemish, Raymond J.; Meuwly, Markus |
2016 |
Collision-induced rotational excitation in N2 (+)((2)Σg (+),v=0)-Ar: Comparison of computations and experiment |
Journal of Chemical Physics |
