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書籍

量子生化学(全2巻) Quantum Biochemistry

量子生化学(全2巻) Quantum Biochemistry
量子生化学(全2巻)
Quantum Biochemistry

Chérif F. Matta (ed.): Mount St. Vincent University, Halifax, Canada
ISBN: 978-3-527-32322-7
Hardcover
976 pages (in 2 volumes)
JANUARY 2010
価格: US$335.00
ダウンロード
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解説/DESCRIPTION

全2巻からなる本書は、生化学計算の理論的基礎、生体分子、反応、遷移状態の解明、配座可動性の決定、薬剤設計などの主題をカバーする。DNA、RNA、酵素、ビタミン、複素環化合物など重要な化合物クラスが幅広く取り上げられる。収録論文にはAda Yonath(2009年)とJerome Karle(1985年)という二人のノーベル化学賞受賞者による寄稿も含む。

目次/TABLE OF CONTENTS

(抜粋)
I. THEORETICAL METHODS TAILORED FOR LARGE BIOMOLECULES
Quantum Crystallography and the Kernel Energy Method
New DFT Functionals Capturing Dispersion Forces in Biomolecules
Linear Scaling and Divide-and-Conquer Methods
Transition State Theory of Biochemical Reaction
The Fast-Marching Method for Predicting the Products of Enzyme-like Chemical Catalysis
Solvent Effects in Biochemistry
Biochemical Applications of the Quantum Theory of At-oms in Molecules
Quantum Chemical Topology and the Automatic Loca-tion of Active Centers in Biomolecules
II. BIOMOLECULES
Accurate Estimates of Stacking Energies in DNA and RNA
Chemical Modifications and Drug Interactions with DNA
Ionization of DNA and RNA bases
Proton Tunnelling in Nucleic Acids and Mutation
Amino Acids and Polypeptides
Energy-rich Compounds
Pteridines
Porphyrins
Carotenoids and Vitamin A
Quinones and Antioxidants
Carcinogenic Polycyclic Aromatic Hydrocarbons
III. BIOCHEMICAL REACTIONS AND TRANSITION STATES
Transition State of the Peptide Bond Formation in the Ribosome
Quantum Modeling of the Catalytic Mechanism of Aldose Reductase Based on Proton Mobility Revealed by Neutron and Subatomic Resolution X-Ray Crystallog-raphy
Time Resolved X-ray Diffraction Study of the Electron Density in Enzymatic Reactions
Seleno-Enzymes
IV. CONFORMATIONAL FLEXIBILITY OF BIO-MOLECULES
The Conformations of Histamine
V. QUANTUM BIOCHEMISTRY IN DRUG DESIGN
The Design of Drugs for Epilepsy, Alzheimer, and Park-inson's Disease
Computational Chemistry in the Development of Poten-tial Antidementia Inhibitors of Butyrylcholinesterase
Advances in Molecular Similarity Measures and their Uses in Drug Design