Computational approaches to biochemical reactivity /

• Άλλοι συγγραφείς: Náray-Szabó, Gábor (επιμελητής), Warshel, Arieh, 1940- (επιμελητής)
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: New York : Kluwer Academic, c2002.
• Σειρά: Understanding chemical reactivity ; volume 19
• Θέματα: Βιοχημεία > Μαθηματικά μοντέλα; Enzyme kinetics.; Κβαντική βιοχημεία; Προσδέτης (Βιοχημεία); Ηλεκτρονικά βιβλία
• Φυσική περιγραφή: 1 ηλεκτρονική πηγή (x, 379 σ.) : εικ.
• Βιβλιογραφία: Περιλαμβάνει βιβλιογραφικές παραπομπές και ευρετήριο.
• ISBN: 0306469340; 9780306469343

This book summarises recent results in the rapidly developing discipline of the computational aspects of biochemical reactivity. It presents a comprehensive and critical treatise on the subject, with numerous references covering practically all relevant and recent work. The chapters, written by eminent experts in the field, deal with quantum mechanical models for reactions in solution, ab initio molecular orbital studies on enzymatic reactions, combined quantum-classical models for proteins, force field approaches for modelling enzymes, electrostatic effects in proteins, electrostatic basis of enzyme catalysis, the mechanism of proteases, modelling of proton transfer reactions in enzymes and protein-ligand interactions. Audience: This volume will be of interest to graduate students and researchers working in molecular biophysics, structural biology or structure-based molecular design.