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      The Amber biomolecular simulation programs.

      Journal of Computational Chemistry

      Thermodynamics, Algorithms, Carbohydrates, chemistry, Computer Simulation, trends, Models, Biological, Models, Chemical, Models, Molecular, Nucleic Acids, Proteins, Software

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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.

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          Journal
          10.1002/jcc.20290
          1989667
          16200636

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