Theoretical Biochemistry

• The structure and function of blue copper proteins, (U. Ryde et al.). Myoglobin (D. Karancsi-Menhárd et al.). Mechanisms for enzymatic reaction involviing formation or cleavage of O-O bonds (P.E.M. Siegbahn et al.). Catalytic reactions of radical enzymes (F Himo, L.A. Eriksson). Theoretical studies of coenzyme B12-dependant carbon-skeleton rearrangements (D.M. Smith et al.). Simulations of enzymatic systems: perspectives form Car-Parinello molecular dynamics simulations(P. Carloni, U. Rothlisberger). Computational enzymology: protein tyrosine phospatase reactions (K. Kolmodoin et al.). Monte Carlo simulations of HIV-1 protease binding dynamics and thermodynamics with ensembles of protein conformations: incorporating protein flexibility in decipherine mechanisms of molecular recognition (G.M. Verkhivker et al.). Modelling G-protein coupled receptors (C. Higgs, C.A. Reynolds). Protein-DNA interactions in the initiation of transcription: the role of flexibility and dynamics of the TATA recognition sequence and the TATA box binding protein (N. Pastor, H. Weinstein). A multi-component model for radiation damage to DNA from its components (S.D. Wetmore et al..). New computational strategies for the quantum mechanical study of biological systems in condensed phases (C. Adamo et al.). Modelling enzyme-ligand interactions (M.J. Ramos et al.). The QM/CM approach to enzymatic reactions (A.J. Mulholland). Quinones and quinoidal radicals in photosynthesis (R.A. Wheeler). Author index. Subject index.

"Researchers working on any of the applications covered in the book will find very stimulating chapters that do a fine job of demonstrating the power of combining theory with experiment." --Journal of the American Chemical Society, 2002