Follow
David Cerutti
Title
Cited by
Cited by
Year
Amber 2023
DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ...
University of California, San Francisco, 2023
62562023
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
30922016
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of chemical information and modeling 63 (20), 6183-6191, 2023
5842023
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
3962018
The FF14SB force field
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Amber 14, 29-31, 2014
2542014
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
2482014
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
2052016
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
1612009
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
1412013
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2018
1302018
AmberTools 16
DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2016
1262016
AMBER 14. 2014
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, San Francisco, 2014
1132014
Amber 2020: University of california
DA Case, K Belfon, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, ...
San Francisco, 2020
1112020
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
1102014
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
1082010
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
982012
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
942008
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
592008
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
522013
Dynamics of the streptavidin− biotin complex in solution and in its crystal lattice: Distinct behavior revealed by molecular simulations
DS Cerutti, IL Trong, RE Stenkamp, TP Lybrand
The Journal of Physical Chemistry B 113 (19), 6971-6985, 2009
522009
The system can't perform the operation now. Try again later.
Articles 1–20