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M Meuwly
M Meuwly
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PhysNet: A neural network for predicting energies, forces, dipole moments, and partial charges
OT Unke, M Meuwly
Journal of chemical theory and computation 15 (6), 3678-3693, 2019
7882019
Allosteric control of cyclic di-GMP signaling
B Christen, M Christen, R Paul, F Schmid, M Folcher, P Jenoe, M Meuwly, ...
Journal of Biological Chemistry 281 (42), 32015-32024, 2006
4192006
Study of the insulin dimerization: binding free energy calculations and per‐residue free energy decomposition
V Zoete, M Meuwly, M Karplus
Proteins: Structure, Function, and Bioinformatics 61 (1), 79-93, 2005
2452005
Machine learning for chemical reactions
M Meuwly
Chemical Reviews 121 (16), 10218-10239, 2021
2272021
Charge migration and charge transfer in molecular systems
HJ Wörner, CA Arrell, N Banerji, A Cannizzo, M Chergui, AK Das, ...
Structural dynamics 4 (6), 2017
1972017
Morphing ab initio potentials: A systematic study of Ne–HF
M Meuwly, JM Hutson
The Journal of chemical physics 110 (17), 8338-8347, 1999
1711999
Size Effects in Cluster Infrared Spectra: the. nu. 1 Band of Arn-HCO+ (n= 1-13)
SA Nizkorodov, O Dopfer, T Ruchti, M Meuwly, JP Maier, EJ Bieske
The Journal of Physical Chemistry 99 (47), 17118-17129, 1995
1231995
NO rebinding to myoglobin: a reactive molecular dynamics study
M Meuwly, OM Becker, R Stote, M Karplus
Biophysical chemistry 98 (1-2), 183-207, 2002
1212002
Toolkit for the construction of reproducing kernel-based representations of data: Application to multidimensional potential energy surfaces
OT Unke, M Meuwly
Journal of chemical information and modeling 57 (8), 1923-1931, 2017
1172017
Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin
DR Nutt, M Meuwly
Biophysical journal 85 (6), 3612-3623, 2003
1152003
A combined experimental and computational study of dihydrido (phosphinooxazoline) iridium complexes
C Mazet, SP Smidt, M Meuwly, A Pfaltz
Journal of the American Chemical Society 126 (43), 14176-14181, 2004
1102004
CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein function
DR Nutt, M Meuwly
Proceedings of the National Academy of Sciences 101 (16), 5998-6002, 2004
1102004
Collisional excitation rate coefficients of N2H+ by He
F Daniel, ML Dubernet, M Meuwly, J Cernicharo, L Pagani
Monthly Notices of the Royal Astronomical Society 363 (4), 1083-1091, 2005
992005
The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin
N Plattner, M Meuwly
Biophysical journal 94 (7), 2505-2515, 2008
952008
A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information
OT Unke, M Meuwly
The Journal of chemical physics 148 (24), 2018
922018
Palladium‐Catalyzed Allylic Substitution: Reversible Formation of Allyl‐Bridged Dinuclear Palladium (I) Complexes
C Markert, M Neuburger, K Kulicke, M Meuwly, A Pfaltz
Angewandte Chemie International Edition 46 (31), 5892-5895, 2007
902007
Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair
V Zoete, M Meuwly
The Journal of chemical physics 121 (9), 4377-4388, 2004
882004
A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer
V Zoete, M Meuwly, M Karplus
Journal of molecular biology 342 (3), 913-929, 2004
872004
Exploring copper (I)-based dye-sensitized solar cells: A complementary experimental and TD-DFT investigation
B Bozic-Weber, V Chaurin, EC Constable, CE Housecroft, M Meuwly, ...
Dalton Transactions 41 (46), 14157-14169, 2012
862012
Simulation of proton transfer along ammonia wires: An “ab initio” and semiempirical density functional comparison of potentials and classical molecular dynamics
M Meuwly, M Karplus
The Journal of chemical physics 116 (6), 2572-2585, 2002
852002
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Artículos 1–20