| Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, 2014 | 12566* | 2014 |
| AMBER 12 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... http://ambermd.org, 2012 | 8729* | 2012 |
| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 6039 | 2021 |
| Routine microsecond molecular dynamics simulations with AMBER on GPUs. 2. Explicit solvent particle mesh Ewald R Salomon-Ferrer, AW Götz, D Poole, S Le Grand, RC Walker Journal of chemical theory and computation 9 (9), 3878-3888, 2013 | 3265 | 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 | 2186* | |
| Routine microsecond molecular dynamics simulations with AMBER on GPUs. 1. Generalized Born AW Götz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker Journal of chemical theory and computation 8 (5), 1542-1555, 2012 | 2051 | 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 | 1109 | 2012 |
| 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 | 645 | 2020 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 531 | 2023 |
| AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... There is no corresponding record for this reference, 2015 | 493* | 2015 |
| 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 | 316 | 2016 |
| 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 | 226 | 2012 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
| 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 | 208 | 2018 |
| 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 | 206 | 2014 |
| 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 | 186 | 2014 |
| 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 | 181 | 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 | 163 | 2007 |
| 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 | 134 | 2009 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 126 | 2016 |
Ross C WalkerVerified email at sdsc.edu
