The Amber biomolecular simulation programs
David Andrew Case, Thomas E. Cheatham, Tom Darden, Holger Gohlke, Ray Luo, Kenneth M. Merz, Alexey V. Onufriev, Carlos L. Simmerling, Bing Wang, Robert J. Woods
Journal of Computational Chemistry · 2005 · 9,808 citationsOpen access
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.
Cite this paper
Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A. V., Simmerling, C. L., Wang, B., & Woods, R. J. (2005). The amber biomolecular simulation programs. Journal of Computational Chemistry, 26(16), 1668–1688. https://doi.org/10.1002/jcc.20290
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