| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5639 | 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 | 2853 | 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 | 355 | 2018 |
| 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 | 250 | 2015 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 250 | 2014 |
| 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 | 246 | 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 | 214 | 2023 |
| 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 | 193 | 2016 |
| 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 | 152 | 2009 |
| 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 | 136 | 2013 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 122 | 2016 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 116 | 2018 |
| AMBER 14. 2014 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 109 | 2014 |
| 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 | 106 | 2014 |
| 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 | 105 | 2010 |
| Amber 2020: University of california DA Case, K Belfon, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, ... San Francisco, 2020 | 95 | 2020 |
| 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 | 95 | 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 |
| Peptide crystal simulations reveal hidden dynamics PA Janowski, DS Cerutti, J Holton, DA Case Journal of the American Chemical Society 135 (21), 7938-7948, 2013 | 52 | 2013 |
