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D

David S. Cerutti

Rutgers University

21H-index
42Paper Count
7.1KCitation Count
Published Papers 20
Publication Date
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Recent Developments in Amber Biomolecular Simulations
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
errShare
errSave
STORMM: Structure and topology replica molecular mechanics for chemical simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-15
err0
errOAAI
errCerutti, David S.; Wiewiora, Rafal; Boothroyd, Simon; Sherman, Woody
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errSave
The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-10
err17
errOAAI
errBogetti, Anthony T.; Piston, Hannah E.; Leung, Jeremy M. G.; Cabalteja, Chino C.; Yang, Darian T.; DeGrave, Alex J.; Debiec, Karl T.; Cerutti, David S.; Case, David A.; Horne, W. Seth; Chong, Lillian T.
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errSave
Fast Implementation of the Nudged Elastic Band Method in AMBER
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-07-17
err20
errOAAI
errGhoreishi, Delaram; Cerutti, David S.; Fallon, Zachary; Simmerling, Carlos; Roitberg, Adrian E.
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errSave
Molecular dynamics simulations of macromolecular crystals
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2018-11-16
err29
errOAAI
errCerutti, David S.; Case, David A.
errShare
errSave
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-09-10
err342
errOAAI
errLee, Tai-Sung; Cerutti, David S.; Mermelstein, Dan; Lin, Charles; LeGrand, Scott; Giese, Timothy J.; Roitberg, Adrian; Case, David A.; Walker, Ross C.; York, Darrin M.
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errSave
Links between the charge model and bonded parameter force constants in biomolecular force fields
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-10-04
err3
errOAAI
errCerutti, David S.; Debiec, Karl T.; Case, David A.; Chong, Lillian T.
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errSave
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2016-10-03
err16
PREAI
errBansal, Nupur; Zheng, Zheng; Cerutti, David S.; Merz, Kenneth M.
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errSave
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-07-22
err170
errOAAI
errDebiec, Karl T.; Cerutti, David S.; Baker, Lewis R.; Gronenborn, Angela M.; Case, David A.; Chong, Lillian T.
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errSave
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-01
err2.5K
PREAI
errHarder, Edward; Damm, Wolfgang; Maple, Jon; Wu, Chuanjie; Reboul, Mark; Xiang, Jin Yu; Wang, Lingle; Lupyan, Dmitry; Dahlgren, Markus K.; Knight, Jennifer L.; Kaus, Joseph W.; Cerutti, David S.; Krilov, Goran; Jorgensen, William L.; Abel, Robert; Friesner, Richard A.
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errSave
ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-10-02
err97
errOAAI
errCerutti, David S.; Swope, William C.; Rice, Julia E.; Case, David A.
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errSave
Peptide Crystal Simulations Reveal Hidden Dynamics
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2013-05-16
err44
errOAAI
errJanowski, Pawel A.; Cerutti, David S.; Holton, James; Case, David A.
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errSave
Alchemical prediction of hydration free energies for SAMPL
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2011-12-24
err80
errOAAI
errMobley, David L.; Liu, Shaui; Cerutti, David S.; Swope, William C.; Rice, Julia E.
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errSave
Multi-Level Ewald: A Hybrid Multigrid/Fast Fourier Transform Approach to the Electrostatic Particle-Mesh Problem
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-12-29
err30
errOAAI
errCerutti, David S.; Case, David A.
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errSave
Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-08-04
err134
errOAAI
errCerutti, David S.; Duke, Robert E.; Darden, Thomas A.; Lybrand, Terry P.
errShare
errSave
A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-09-10
err76
errOAAI
errCerutti, David S.; Duke, Robert; Freddolino, Peter L.; Fan, Hao; Lybrand, Terry P.
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errSave
Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-15
err42
errOAAI
errCerutti, David S.; Baker, Nathan A.; McCammon, J. Andrew
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errSave
Rapid estimation of solvation energy for simulations of protein-protein association
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2004-11-24
err16
PREAI
errCerutti, DS; Ten Eyck, LF; McCammon, JA
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errSave
Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: Effects of biomolecular dielectric
errBIOPOLYMERS
IF3.2
err2003-10-01
err11
errOAAI
errCerutti, DS; Wong, CF; McCammon, JA
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Research Directions

No research directions
Co-authors
Cooperation Journals
J
J. Andrew McCammon
H-index: 134 · Papers: 1.1K
W
William L. Jorgensen
H-index: 120 · Papers: 781
A
Angela M. Gronenborn
H-index: 119 · Papers: 797
D
David A. Case
H-index: 107 · Papers: 518
R
Richard A. Friesner
H-index: 107 · Papers: 486
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