AmberTools

Case, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andrés; Cruzeiro, Vinícius Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Götz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet Cagri; King, Edward J.; Kurtzman, Tom; Lee, Tai‐Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matías; Nguyen, Hai; 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, Thomas E.; Roe, Daniel R.; Roitberg, Adrián E.; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Kenneth M.

doi:10.1021/acs.jcim.3c01153

articleJournal of Chemical Information and ModelingOct 8, 2023HYBRID OA

AmberTools

DADavid A. Case HMHasan Metin Aktulga KBKellon Belfon DSDavid S. Cerutti GAG. Andrés Cisneros

Rutgers, The State University of New Jersey · Michigan United · +31 more institutions

PubMed

Indexed incrossrefpubmed

Abstract

AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note.

Citation impact

1,778

total citations

FWCI: 257.58
Percentile: 100%
References: 82

Citations per year

Authors

DA
David A. Case
Rutgers, The State University of New Jersey
HM
Hasan Metin Aktulga
Michigan United, Michigan State University
KB
Kellon Belfon
FogPharma (United States)
DS
David S. Cerutti
Roivant Sciences (United States)
GA
G. Andrés Cisneros
The University of Texas at Dallas

Topics & keywords

Topics

Protein Structure and Dynamics100%
Scientific Computing and Data Management99%
Metabolomics and Mass Spectrometry Studies98%

Keywords

Computer science
Set (abstract data type)
Open source
Information retrieval
Programming language
Software

No related works found for this paper.

Funding

NS
National Science Foundation
Awards: OAC-2117247, 2209718, CHE-2050541, NSF OAC1835144, CHE-2018427, CTMC-1665159, CHE-2216858, 2209717, CHE-2102668, CHE-1955260
FS
Florida State University
N
Nvidia
LU
Loyola University Chicago
UO
University of Florida
MS
Michigan State University
UO
University of Utah
UO
University of Pittsburgh
DF
Deutsche Forschungsgemeinschaft
Award: 267205415
NN
National Natural Science Foundation of China
Award: NSFC-22225304
PU
Peking University
Award: 100871
SU
Southern University of Science and Technology
Award: 518055
IP
Institut Pasteur de Montevideo
SB
Stony Brook University
NI
National Institutes of Health
Awards: GM107104, GM135136, GM108583, 11794, GM146633, R35GM144089, NIH U2COD026506, -0001, GM149874, GM107485, GM130367, GM144596, NHLBI Z01 HL001051-23, GM147673, GM62248, GM130641
CO
College of Engineering, Michigan State University
UO
University of California, Irvine
NH
National Heart, Lung, and Blood Institute
Awards: Z01 HL001051, Z01 HL001051-23
LC
Laufer Center for Physical and Quantitative Biology, Stony Brook University
BN
Beijing National Laboratory for Molecular Sciences