Author(s): Case DA, Cheatham TE rd, Darden T, Gohlke H, Luo R,
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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. (c) 2005 Wiley Periodicals, Inc.
This article was published in J Comput Chem
and referenced in Medicinal Chemistry