Computational Molecular Biology

Content: 
Preface
Page v
Jerzy Leszczynski

Chapter 1 Hybrid potentials for large molecular systems Original Research Article
Pages 1-33
Patricia Amara, Martin J. Field

Chapter 2 Proton transfer in models of biomolecules Original Research Article
Pages 35-83
Steve Scheiner

Chapter 3 Computational approaches to the studies of the interactions of nucleic acid bases Original Research Article
Pages 85-117
J. šponer, P. Hobza, J. Leszczynski

Chapter 4 Nucleic acid bases in solution Original Research Article
Pages 119-166
Modesto Orozco, Elena Cubero, Xavier Barril, Carles Colominas, F. Javier Luque

Chapter 5 Current trends in modeling interactions of DNA fragments with polar solvents Original Research Article
Pages 167-209
Leonid Gorb, Jerzy Leszczynski

Chapter 6 Radiation-induced DNA damage and repair: An approach from AB initio mo method Original Research Article
Pages 211-243
Misako Aida, Motohisa Kaneko, Michel Dupuis

Chapter 7 Application of molecular orbital theory to the elucidation of radical processes induced by radiation damage to DNA Original Research Article
Pages 245-277
Anny-Odile Colson, Michael D. Sevilla

Chapter 8 Exploring the structural repertoire of guanine-rich DNA sequences: Computer modelling studies Original Research Article
Pages 279-323
M. Bansal, M. Ravikiran, S. Chowdhury

Chapter 9 The calculation of relative binding thermodynamics of molecular associations in aqueous solvents Original Research Article
Pages 325-368
G.J. Tawa, I.A. Topol, S.K. Burt

Chapter 10 Theoretical tools for analysis and modelling electrostatic effects in biomolecules Original Research Article
Pages 369-396
W.A. Sokalski, P. Kędzierski, J. Grembecka, P. Dziekoński, K. Strasburger

Chapter 11 Application of reduced models to protein structure prediction Original Research Article
Pages 397-440
J. Skolnick, A. Kolinski, A.R. Ortiz

Chapter 12 Modelling protein-DNA interactions Original Research Article
Pages 441-483
K. Zakrzewska, R. Lavery

Chapter 13 Interactions of small molecules and peptides with membranes Original Research Article
Pages 485-535
A. Pohorille, M.A. Wilson, C. Chipot, M.H. New, K. Schweighofer

Chapter 14 Modeling of antifreeze proteins Original Research Article
Pages 537-568
Jeffry D. Madura, Andrzej Wierzbicki

Chapter 15 The role of computational techniques in retrometabolic drug design strategies Original Research Article
Pages 569-618
N. Bodor, P. Buchwald, M.-J. Huang

Chapter 16 Computational aspects of neural membrane biophysics Original Research Article
Pages 619-637
Ron Wallace

Index
Pages 639-645