| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5402 | 2021 |
| OPLS3: a force field providing broad coverage of drug-like small molecules and proteins E Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ... Journal of chemical theory and computation 12 (1), 281-296, 2016 | 2761 | 2016 |
| GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features TS Lee, DS Cerutti, D Mermelstein, C Lin, S LeGrand, TJ Giese, ... Journal of chemical information and modeling 58 (10), 2043-2050, 2018 | 333 | 2018 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 243 | 2014 |
| AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... Google Scholar There is no corresponding record for this reference, 2015 | 240 | 2015 |
| AMBER 14; University of California: San Francisco, 2014 DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Google Scholar There is no corresponding record for this reference, 1-826, 2014 | 239 | 2014 |
| Further along the road less traveled: AMBER ff15ipq, an original protein force field built on a self-consistent physical model KT Debiec, DS Cerutti, LR Baker, AM Gronenborn, DA Case, LT Chong Journal of chemical theory and computation 12 (8), 3926-3947, 2016 | 190 | 2016 |
| AMBER 2018, University of California, San Francisco DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Ta [Google Scholar], 2018 | 149 | 2018 |
| Staggered mesh Ewald: an extension of the smooth particle-mesh Ewald method adding great versatility DS Cerutti, RE Duke, TA Darden, TP Lybrand Journal of chemical theory and computation 5 (9), 2322-2338, 2009 | 149 | 2009 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 141 | 2016 |
| Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarization DS Cerutti, JE Rice, WC Swope, DA Case The Journal of Physical Chemistry B 117 (8), 2328-2338, 2013 | 133 | 2013 |
| AMBER 14. 2014 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 111 | 2014 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 109 | 2018 |
| ff14ipq: A self-consistent force field for condensed-phase simulations of proteins DS Cerutti, WC Swope, JE Rice, DA Case Journal of chemical theory and computation 10 (10), 4515-4534, 2014 | 107 | 2014 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 106 | 2023 |
| Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models DS Cerutti, PL Freddolino, RE Duke Jr, DA Case The Journal of Physical Chemistry B 114 (40), 12811-12824, 2010 | 103 | 2010 |
| Alchemical prediction of hydration free energies for SAMPL DL Mobley, S Liu, DS Cerutti, WC Swope, JE Rice Journal of computer-aided molecular design 26, 551-562, 2012 | 94 | 2012 |
| A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics DS Cerutti, R Duke, PL Freddolino, H Fan, TP Lybrand Journal of chemical theory and computation 4 (10), 1669-1680, 2008 | 92 | 2008 |
| Simulations of a Protein Crystal: Explicit Treatment of Crystallization Conditions Links Theory and Experiment in the Streptavidin− Biotin Complex DS Cerutti, I Le Trong, RE Stenkamp, TP Lybrand Biochemistry 47 (46), 12065-12077, 2008 | 57 | 2008 |
| Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models? DS Cerutti, NA Baker, JA McCammon The Journal of Chemical Physics 127 (15), 2007 | 53 | 2007 |
