David S. Cerutti

Rutgers, The State University of New Jersey — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

21h-index7.0kcitations41works11.72yr avg
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Research Topics

Protein Structure and Dynamics(21), Enzyme Structure and Function(12), DNA and Nucleic Acid Chemistry(9), Spectroscopy and Quantum Chemical Studies(6), Biotin and Related Studies(5)

Publications41 total

Recent Developments in Amber Biomolecular Simulations
Journal of Chemical Information and Modeling·2025· 35 citedOpen Access
STORMM: Structure and topology replica molecular mechanics for chemical simulations
The Journal of Chemical Physics·2024Open Access
STORMM: Structure and TOpology Replica Molecular Mechanics for chemical simulations
2024Open Access
AmberTools
Journal of Chemical Information and Modeling·2023· 1.6k citedOpen Access
Amber 2021: Reference Manual
Open Repository and Bibliography (University of Luxembourg)·2021· 171 cited
Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2
Physical Chemistry Chemical Physics·2021· 21 cited
Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2
Physical Chemistry Chemical Physics·2021· 1 citedOpen Access
Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility
Figshare·2020Open Access
A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics
Figshare·2020Open Access
Histidine Protonation Controls Structural Heterogeneity in the Cyanobacteriochrome AnPixJg2
2020· 3 citedOpen Access
A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics
The Journal of Chemical Physics·2020· 21 citedOpen Access
Fast Implementation of the Nudged Elastic Band Method in AMBER
Journal of Chemical Theory and Computation·2019· 21 citedOpen Access
A Fast Implementation of the Nudged Elastic Band Method in AMBER
2019Open Access
A Fast Implementation of the Nudged Elastic Band Method in AMBER
2019· 4 citedOpen Access
Molecular dynamics simulations of macromolecular crystals
Wiley Interdisciplinary Reviews Computational Molecular Science·2018· 44 citedOpen Access
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Journal of Chemical Information and Modeling·2018· 467 citedOpen Access
Molecular Dynamics of Oxazole Yellow Dye in its Ground and First Excited Electronic States in Solution and when Intercalated in dsDNA
The Journal of Physical Chemistry B·2017· 2 cited
Links between the charge model and bonded parameter force constants in biomolecular force fields
The Journal of Chemical Physics·2017· 4 cited
On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Journal of Computer-Aided Molecular Design·2016· 19 cited
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model
Journal of Chemical Theory and Computation·2016· 222 citedOpen Access
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Frequent Co-authors

David A. Case(14), Terry P. Lybrand(9), Adrián E. Roitberg(7), Carlos Simmerling(7), Robert E. Duke(7), Darrin M. York(5), Ronald E. Stenkamp(5), J. Andrew McCammon(5), Tai‐Sung Lee(4), Thomas E. Cheatham(4), Kenneth M. Merz(4), Ross C. Walker(4), Isolde Le Trong(4), Vinícius Wilian D. Cruzeiro(3), Timothy J. Giese(3), Holger Gohlke(3), Saeed Izadi(3), Koushik Kasavajhala(3), Jason Swails(3), Xiongwu Wu(3)