| Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008 | 12024* | 2008 |
| Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, 2014 | 9383* | 2014 |
| AMBER 12 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... http://ambermd.org, 2012 | 8408* | 2012 |
| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 4593 | 2021 |
| Routine microsecond molecular dynamics simulations with AMBER on GPUs. 2. Explicit solvent particle mesh Ewald R Salomon-Ferrer, AW Gotz, D Poole, S Le Grand, RC Walker Journal of chemical theory and computation 9 (9), 3878-3888, 2013 | 2722 | 2013 |
| Amsterdam Density Functional Program, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, J Autschbach, A Bérces, FM Bickelhaupt, C Bo, ... URL: http://www.scm.com, 0 | 1990* | |
| Routine microsecond molecular dynamics simulations with AMBER on GPUs. 1. Generalized born AW Gotz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker Journal of chemical theory and computation 8 (5), 1542-1555, 2012 | 1787 | 2012 |
| SPFP: speed without compromise—a mixed precision model for GPU accelerated molecular dynamics simulations SL Grand, AW Götzx, RC Walker Computer Physics Communications, 2012 | 958 | 2012 |
| Amber 2015 (University of California, San Francisco) DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Google Scholar There is no corresponding record for this reference, 2015 | 464* | 2015 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 448 | 2020 |
| On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters … SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ... The Journal of chemical physics 145 (19), 2016 | 265 | 2016 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 218 | 2020 |
| Electronic absorption spectra from MM and ab Initio QM/MM molecular dynamics: environmental effects on the absorption spectrum of photoactive yellow protein CM Isborn, AW Götz, MA Clark, RC Walker, TJ Martínez Journal of Chemical Theory and Computation 8 (12), 5092-5106, 2012 | 201 | 2012 |
| The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies BC Knott, M Haddad Momeni, MF Crowley, LF Mackenzie, AW Gotz, ... Journal of the American Chemical Society 136 (1), 321-329, 2014 | 184 | 2014 |
| Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions TT Nguyen, E Székely, G Imbalzano, J Behler, G Csányi, M Ceriotti, ... The Journal of chemical physics 148 (24), 2018 | 179 | 2018 |
| A high performance grid-based algorithm for computing QTAIM properties JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo Chemical Physics Letters 472 (1-3), 149-152, 2009 | 159 | 2009 |
| Numerically stable optimized effective potential method with balanced Gaussian basis sets A Heßelmann, AW Götz, F Della Sala, A Görling The Journal of chemical physics 127, 054102, 2007 | 158 | 2007 |
| An extensible interface for QM/MM molecular dynamics simulations with AMBER AW Götz, MA Clark, RC Walker Journal of computational chemistry 35 (2), 95-108, 2014 | 157 | 2014 |
| Performance of kinetic energy functionals for interaction energies in a subsystem formulation of density functional theory AW Gotz, SM Beyhan, L Visscher Journal of chemical theory and computation 5 (12), 3161-3174, 2009 | 130 | 2009 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 126* | 2018 |
Ross C WalkerVerified email at sdsc.edu
