Chapter 1. Hybrid potentials for large molecular systems. -- 2. Proton transfer in models biomolecules. -- 3. Computational approaches to the studies of the interactions of nucleic acid bases. -- 4. Nucleic acid bases in solution. -- 5. Current trends in modeling interactions of DNA fragments with polar solvents. -- 6. Radiation-induced DNA damage and repair: An approach from ab initio MO method. -- 7. Application of molecular orbital theory to elucidation of radical processes induced by radiation damage to DNA. -- 8. Exploring the structural repertoire of Guanine-rich DNA sequences: Computer modeling studies. -- 9. The calculation of relative binding thermodynamics of molecular associations in aqueous environments. -- 10. Theoretical tools for analysis and modeling electrostatic effects in biomolecules. -- 11. Application of reduced models to protein structure prediction. -- 12. Modeling DNA-protein interactions. -- 13. Interactions of small molecules and peptides with membranes. -- 14. Modeling of antifreeze proteins. -- 15. The role of computational techniques in retrometabolic drug design strategies. -- 16. Computational aspects of neural membrane biophysics. -- Index.

Hybrid potentials for large molecular systems / P. Amara and M.J. Field -- Proton transfer in models biomolecules / S. Scheiner -- Computational approaches to the studies of the interactions of nucleic acid bases / J. Šponer, P. Hobza and J. Leszczynski -- Nucleic acid bases in solution / M. Orozco [and others] -- Current trends in modeling interactions of DNA fragments with polar solvents / L. Gorb and J. Leszczynski -- Radiation-induced DNA damage and repair : an approach from ab initio MO method / M. Aida, M. Kaneko and M. Dupuis -- Application of molecular orbital theory to elucidation of radical processes induced by radiation damage to DNA / A.-O. Colson and M.D. Sevilla -- Exploring the structural repertoire of Guanine-rich DNA sequences : computer modelling studies / M. Bansal, M. Ravikiran and S. Chowdhury -- The calculation of relative binding thermodynamics of molecular associations in aqueous environments / G.J. Tawa, I.A. Topol and S.K. Burt -- Theoretical tools for analysis and modelling electrostatic effects in biomolecules / W.A. Sokalski [and others] -- Application of reduced models to protein structure prediction / J. Skolnick, A. Kolinski and A.R. Ortiz -- Modelling DNA-protein interactions / K. Zakrzewska and R. Lavery -- Interactions of small molecules and peptides with membranes / A. Pohorille [and others] -- Modeling of antifreeze proteins / J.D. Madura and A. Wierzbicki -- The role of computational techniques in retrometabolic drug design strategies / N. Bodor, P. Buchwald and M.-J. Huang -- Computational aspects of neural membrane biophysics / R. Wallace.