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J Comput Chem. 2005 Dec;26(16):1668-88.

The Amber biomolecular simulation programs.

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1
Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Raod, TPC15, La Jolla, CA 92037, USA. case@scripps.edu

Abstract

We describe the development, current features, and some directions for future development of the Amber package of computer programs. This package evolved from a program that was constructed in the late 1970s to do Assisted Model Building with Energy Refinement, and now contains a group of programs embodying a number of powerful tools of modern computational chemistry, focused on molecular dynamics and free energy calculations of proteins, nucleic acids, and carbohydrates.

PMID:
16200636
PMCID:
PMC1989667
DOI:
10.1002/jcc.20290
[Indexed for MEDLINE]
Free PMC Article
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