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1 Hybrid QM/MM Methods: Treating Electronic Phenomena
in Very Large Molecular Systems ...........................................................
1
Antonio Monari and Xavier Assfeld
2 Structure, Thermodynamics and Energetics of Drug-DNA
Interactions: Computer Modeling and Experiment .............................
21
Maxim P. Evstigneev and Anna V. Shestopalova
3 Formation of DNA Lesions, its Prevention and Repair ........................
59
Nihar R. Jena, Neha Agnihotri and Phool C. Mishra
4 DNA Dependent DNA Polymerases as Targets
for Low-Weight Molecular Inhibitors: State of Art
and Prospects of Rational Design ...........................................................
95
Alexey Yu. Nyporko
5 Molecular Structures, Relative Stability, and Proton
Affinities of Nucleotides: Broad View and Novel Findings .................. 137
Tetiana A. Zubatiuk, Gennady V. Palamarchuk, Oleg V. Shishkin,
Leonid Gorb and Jerzy Leszczynski
6 Quantum Chemical Approaches in Modeling the Structure
of DNA Quadruplexes and Their Interaction with Metal Ions
and Small Molecules ................................................................................ 181
Mykola Ilchenko and Igor Dubey
7 Density Functional Theory Calculations of Enzyme–Inhibitor
Interactions in Medicinal Chemistry and Drug Design........................ 207
Alexander B. Rozhenko
Contents