The Amber biomolecular simulation programs.
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.
Case
David A
DA
Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Raod, TPC15, La Jolla, CA 92037, USA. case@scripps.edu
Cheatham
Thomas E
TE
Darden
Tom
T
Gohlke
Holger
H
Luo
Ray
R
Merz
Kenneth M
KM
Onufriev
Alexey
A
Simmerling
Carlos
C
Wang
Bing
B
Woods
Robert J
RJ
D000465:Algorithms; D002241:Carbohydrates / Q000737:chemistry; D003198:Computer Simulation / Q000639:trends*; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D009696:Nucleic Acids / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D012984:Software / Q000639:trends*; D013816:Thermodynamics
D002241:Carbohydrates; D009696:Nucleic Acids; D011506:Proteins