Computational Molecular Biology (Hardcover)

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.