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

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 emin...

Πίνακας περιεχομένων:

• Preface
• 1. Quantum Mechanical Models for Reactions in Solution
• 2. Free Energy Perturbation Calculations within Quantum Mechanical Methodologies
• 3. Hybrid Potentials for Molecular Systems in the Condensed Phase
• 4. Molecular Mechanics and Dynamics Simulations of Enzymes
• 5. Electrostatic Interactions in Proteins
• 6. Electrostatic Basis of Enzyme Catalysis
• 7. On the Mechanisms of Proteinases
• 8. Modelling of Proton Transfer Reactions in Enzymes
• 9. Protein-Ligand Interactions
• Subject Index.