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 e...

Full description

Saved in:
Bibliographic Details
Published in:Journal of computational chemistry 2005-12, Vol.26 (16), p.1668-1688
Main Authors: Case, David A., Cheatham III, Thomas E., Darden, Tom, Gohlke, Holger, Luo, Ray, Merz Jr, Kenneth M., Onufriev, Alexey, Simmerling, Carlos, Wang, Bing, Woods, Robert J.
Format: Article
Language:English
Subjects:
Algorithms
Amber
Biochemistry
biomolecular simulation programs
Carbohydrates - chemistry
Computer based modeling
Computer Simulation - trends
Models, Biological
Models, Chemical
Models, Molecular
Nucleic Acids - chemistry
Proteins - chemistry
Simulation
Software - trends
Thermodynamics
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1668–1688, 2005
ISSN:0192-8651
1096-987X
DOI:10.1002/jcc.20290