Assessment of the role of computations in structural biology.
Computations are now an integrated part of structural biology and are used in data gathering, data processing, and data storage as well as in a full spectrum of theoretical pursuits. In this review, we focus on areas of great promise and call attention to important issues of internal consistency and error analysis.
Kuntz
Irwin D
ID
Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143-2440, USA.
Agard
David A
DA
D019295:Computational Biology / Q000379:methods*; D003198:Computer Simulation; D030562:Databases, Protein; D006801:Humans; D046911:Macromolecular Substances; D008956:Models, Chemical; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry; D020543:Proteome; D015203:Reproducibility of Results
D046911:Macromolecular Substances; D011506:Proteins; D020543:Proteome