| 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 | 3291 | 2013 |
| An overview of the Amber biomolecular simulation package R Salomon‐Ferrer, DA Case, RC Walker Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 198-210, 2013 | 2657 | 2013 |
| Routine access to millisecond time scale events with accelerated molecular dynamics LCT Pierce, R Salomon-Ferrer, C Augusto F. de Oliveira, JA McCammon, ... Journal of chemical theory and computation 8 (9), 2997-3002, 2012 | 512 | 2012 |
| AMBER 14; University of California: San Francisco, 2014 DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... There is no corresponding record for this reference, 1-826, 2014 | 317* | 2014 |
| 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 | 262 | 2015 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 254 | 2014 |
| Wiley Interdiscip R Salomon-Ferrer, DA Case, RC Walker Rev.: Comput. Mol. Sci 3 (2), 198-210, 2013 | 230 | 2013 |
| Dynamics and dissipation in enzyme catalysis N Boekelheide, R Salomón-Ferrer, TF Miller III Proceedings of the National Academy of Sciences 108 (39), 16159-16163, 2011 | 200 | 2011 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 123 | 2018 |
| Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST S Ramsey, C Nguyen, R Salomon‐Ferrer, RC Walker, MK Gilson, ... Journal of computational chemistry 37 (21), 2029-2037, 2016 | 119 | 2016 |
| AMBER 14. 2014 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 114 | 2014 |
| de Oliveira, C.; McCammon, JA; Walker, RC Routine access to millisecond time scale events with accelerated molecular dynamics LCT Pierce, R Salomon-Ferrer, F Augusto J. Chem. Theory Comput 8 (9), 2997-3002, 2012 | 98 | 2012 |
| Discovery of the Potent and Selective M1 PAM-Agonist N-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2 … JE Davoren, CW Lee, M Garnsey, MA Brodney, J Cordes, K Dlugolenski, ... Journal of medicinal chemistry 59 (13), 6313-6328, 2016 | 91 | 2016 |
| Kollman PA DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ... Amber, 2018 | 77 | 2018 |
| AMBER 14 RE Duke, H Gohlke, AW Goetz, S Gusarov, N Homeyer, P Janowski, ... University of California: San Francisco, CA, USA, 2014 | 59 | 2014 |
| AMBER 2018 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2018 | 52 | 2018 |
| Embedded-ring migration on graphene zigzag edge R Whitesides, D Domin, R Salomón-Ferrer, WA Lester Jr, M Frenklach Proceedings of the Combustion Institute 32 (1), 577-583, 2009 | 48 | 2009 |
| Graphene layer growth chemistry: five-and six-member ring flip reaction R Whitesides, D Domin, R Salomon-Ferrer, WA Lester, M Frenklach The Journal of Physical Chemistry A 112 (10), 2125-2130, 2008 | 47 | 2008 |
| Design and optimization of selective azaindole amide M1 positive allosteric modulators JE Davoren, SV O’Neil, DP Anderson, MA Brodney, L Chenard, ... Bioorganic & Medicinal Chemistry Letters 26 (2), 650-655, 2016 | 46 | 2016 |
| Zori 1.0: A parallel quantum Monte Carlo electronic structure package A Aspuru–Guzik, R Salomón–Ferrer, B Austin, R Perusquía–Flores, ... Journal of Computational Chemistry 26 (8), 856-862, 2005 | 46 | 2005 |