The Amber biomolecular simulation programs.

David A Case; Thomas E Cheatham; Tom Darden; Holger Gohlke; Ray Luo; Kenneth M Merz; Alexey Onufriev; Carlos Simmerling; Bing Wang; Robert J Woods

doi:10.1002/jcc.20290

PubMed · 16200636

The Amber biomolecular simulation programs.

David A Case·Thomas E Cheatham·Tom Darden·Holger Gohlke·Ray Luo·Kenneth M Merz·Alexey Onufriev·Carlos Simmerling·Bing Wang·Robert J Woods

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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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Algorithms Carbohydrates Computer Simulation Models, Biological Models, Chemical Models, Molecular Nucleic Acids Proteins Software Thermodynamics Journal Article Research Support, N.I.H., Extramural Research Support, U.S. Gov't, P.H.S.

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David A Case, Thomas E Cheatham, Tom Darden, Holger Gohlke, Ray Luo, Kenneth M Merz, Alexey Onufriev, Carlos Simmerling, Bing Wang, Robert J Woods. 2005. The Amber biomolecular simulation programs.. https://doi.org/10.1002/jcc.20290

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