AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
Тип публикации: Journal Article
Дата публикации: 1995-09-01
SCImago Q1
Tоп 10% SCImago
WOS Q1
БС1
SJR: 1.564
CiteScore: 13.1
Impact factor: 3.9
ISSN: 00104655, 18792944
General Physics and Astronomy
Hardware and Architecture
Краткое описание
We describe the development, current features, and some directions for future development of the AMBER package of computer programs. This package has evolved from a program that was constructed to do Assisted Model Building and Energy Refinement to a group of programs embodying a number of the powerful tools of modern computational chemistry-molecular dynamics and free energy calculations.
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PEARLMAN D. et al. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules // Computer Physics Communications. 1995. Vol. 91. No. 1-3. pp. 1-41.
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PEARLMAN D., Case D. B., CALDWELL J. W., Ross W. S., Cheatham T. E., Debolt S., Ferguson D., Seibel G., Kollman P. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules // Computer Physics Communications. 1995. Vol. 91. No. 1-3. pp. 1-41.
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TY - JOUR
DO - 10.1016/0010-4655(95)00041-D
UR - https://doi.org/10.1016/0010-4655(95)00041-D
TI - AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
T2 - Computer Physics Communications
AU - PEARLMAN, DAVID
AU - Case, D B
AU - CALDWELL, JAMES W.
AU - Ross, Wilson S
AU - Cheatham, Thomas E.
AU - Debolt, Steve
AU - Ferguson, David
AU - Seibel, George
AU - Kollman, Peter
PY - 1995
DA - 1995/09/01
PB - Elsevier
SP - 1-41
IS - 1-3
VL - 91
SN - 0010-4655
SN - 1879-2944
ER -
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@article{1995_PEARLMAN,
author = {DAVID PEARLMAN and D B Case and JAMES W. CALDWELL and Wilson S Ross and Thomas E. Cheatham and Steve Debolt and David Ferguson and George Seibel and Peter Kollman},
title = {AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules},
journal = {Computer Physics Communications},
year = {1995},
volume = {91},
publisher = {Elsevier},
month = {sep},
url = {https://doi.org/10.1016/0010-4655(95)00041-D},
number = {1-3},
pages = {1--41},
doi = {10.1016/0010-4655(95)00041-D}
}
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MLA
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PEARLMAN, DAVID, et al. “AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules.” Computer Physics Communications, vol. 91, no. 1-3, Sep. 1995, pp. 1-41. https://doi.org/10.1016/0010-4655(95)00041-D.
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