| 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 | 875 | 2019 |
| 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 | 426 | 2006 |
| Machine learning for chemical reactions M Meuwly Chemical Reviews 121 (16), 10218-10239, 2021 | 273 | 2021 |
| 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 | 248 | 2005 |
| 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 | 211 | 2017 |
| Morphing ab initio potentials: A systematic study of Ne–HF M Meuwly, JM Hutson The Journal of chemical physics 110 (17), 8338-8347, 1999 | 173 | 1999 |
| 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 | 126 | 2017 |
| 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 | 123 | 2002 |
| 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 | 121 | 1995 |
| Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin DR Nutt, M Meuwly Biophysical journal 85 (6), 3612-3623, 2003 | 118 | 2003 |
| 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 | 112 | 2004 |
| 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 | 111 | 2004 |
| 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 | 101 | 2005 |
| 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 | 97 | 2008 |
| 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 | 96 | 2018 |
| Multisurface adiabatic reactive molecular dynamics T Nagy, J Yosa Reyes, M Meuwly Journal of chemical theory and computation 10 (4), 1366-1375, 2014 | 90 | 2014 |
| 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 | 90 | 2007 |
| 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 | 90 | 2004 |
| 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 | 89 | 2004 |
| 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 | 88 | 2002 |
Oliver T. UnkeSenior Research Scientist at Google DeepMindVerified email at google.com
