| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 6357* | 2023 |
| 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 | 3118 | 2016 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 638 | 2023 |
| 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 | 463 | 2014 |
| 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 | 404 | 2018 |
| AMBER 20 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... University of California: San Francisco, CA, USA, 2020 | 372 | 2020 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 257 | 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 | 204 | 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 | 163 | 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 | 137 | 2013 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham Iii, ... University of California, San Francisco, 2018 | 125 | 2018 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 124 | 2016 |
| AMBER 14. 2014 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 115 | 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 | 113 | 2014 |
| Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models DS Cerutti, L Freddolino, RE Duke Jr, DA Case The Journal of Physical Chemistry B 114 (40), 12811-12824, 2010 | 106 | 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 | 98 | 2012 |
| A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics DS Cerutti, R Duke, L Freddolino, H Fan, TP Lybrand Journal of chemical theory and computation 4 (10), 1669-1680, 2008 | 93 | 2008 |
| Amber 2020: University of california DA Case, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, T Cheatham, ... San Francisco, 2020 | 80 | 2020 |
| 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 | 58 | 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 | 53 | 2013 |