The Amber biomolecular simulation programs |
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Authors: | Case David A Cheatham Thomas E Darden Tom Gohlke Holger Luo Ray Merz Kenneth M Onufriev Alexey Simmerling Carlos Wang Bing Woods Robert J |
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Affiliation: | Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Raod, TPC15, La Jolla, CA 92037, USA. case@scripps.edu |
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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. |
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Keywords: | Amber biomolecular simulation programs |
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