Quantum Biochemistry (Google eBook)
Chérif F. Matta
John Wiley & Sons, Jan 14, 2010 - Science - 976 pages
Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds.
The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
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Part Two Nucleic Acids Amino Acids Peptides and Their Interactions
Part Three Reactivity Enzyme Catalysis Biochemical Reaction Paths and Mechanisms
active adenine amino acids B3LYP Bader base pairs basis set binding Biochem Biol biological calculations catalytic charge Chem chemical chemistry cisplatin complex compounds computational conformational contributions coordinates crystal structure density functional theory deprotonated descriptors dimer drug ebselen effects electron density electrostatic enzyme Equation experimental Figure formation free energy functional geometry H-bond hydrogen bond hydrolysis initio interaction energy ionization kcal molÀ1 kernels kJ molÀ1 Lett level of theory ligands Matta methods mutation Natl natural selection neutral NSAIDs nucleobases obtained ofthe ONIOM optimized oxidation oxygen pathway peptide phenothiazine Phys polarizabilities Popelier potential energy potential energy surface properties protein proton proton transfer QM/MM QSAR QTAIM Quantum Biochemistry Quantum Chem quantum mechanics reactant reaction reactive reduction potential residues Scheme side chains simulations solvation solvent species spin-state stability substrate surface Table transition values virial