Methodological overview demonstrates the evolution of the Amber software suite in biomolecular modeling, highlighting advances in molecular dynamics and free energy calculations.
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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Case et al. (2005) studied this question.
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