The Amber biomolecular simulation programs

J Comput Chem. 2005 Dec;26(16):1668-88. doi: 10.1002/jcc.20290.


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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

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


  • Carbohydrates
  • Nucleic Acids
  • Proteins