The Amber biomolecular simulation programs
نویسندگان
چکیده
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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عنوان ژورنال:
- Journal of computational chemistry
دوره 26 16 شماره
صفحات -
تاریخ انتشار 2005