COMPUTATIONAL APPROACHES TO MOLECULAR RECOGNITION

Authors
LAMB ML JORGENSEN WL
Citation
Ml. Lamb et Wl. Jorgensen, COMPUTATIONAL APPROACHES TO MOLECULAR RECOGNITION, CURRENT OPINION IN CHEMICAL BIOLOGY, 1(4), 1997, pp. 449-457
Citations number
74
Categorie Soggetti
Biology,Biophysics
Journal title
CURRENT OPINION IN CHEMICAL BIOLOGY → ACNP
ISSN journal
13675931
Volume
1
Issue
4
Year of publication
1997
Pages
449 - 457
Database
ISI
SICI code
1367-5931(1997)1:4<449:CATMR>2.0.ZU;2-6
Abstract
Recent advances in the computation of free energies have facilitated t he understanding of host-guest and protein-ligand recognition. Rigorou s perturbation methods have been assessed and expanded, and more appro ximate techniques have been developed that allow faster treatment of d iverse systems.