QUANTUM-MECHANICAL CALCULATIONS ON BIOLOGICAL-SYSTEMS

Authors
FRIESNER RA BEACHY MD
Citation
Ra. Friesner et Md. Beachy, QUANTUM-MECHANICAL CALCULATIONS ON BIOLOGICAL-SYSTEMS, Current opinion in structural biology, 8(2), 1998, pp. 257-262
Citations number
58
Categorie Soggetti
Cell Biology",Biology
Journal title
Current opinion in structural biology → ACNP
ISSN journal
0959440X
Volume
8
Issue
2
Year of publication
1998
Pages
257 - 262
Database
ISI
SICI code
0959-440X(1998)8:2<257:QCOB>2.0.ZU;2-F
Abstract
Improvements in quantum chemical methods have led to increased applica tions to biological problems, including the development of potential e nergy functions for molecular mechanics and modeling of the reactive c hemistry in enzyme active sites, with particularly interesting progres s being made for metal-containing systems. An important direction is t he development and application of hybrid quantum chemical-molecular me chanics methods.