Main

Fields of interest:

The base-stacking phenomenon in chemistry and biology: New cluster approach

Monte Carlo Simulations of Biomolecules

The nature of DNA stability

Semi-empirical and Non-empirical Studies of Biomolecules

The properties of the DNA excited states;

The point mechanisms of the protein-nucleic acids recognition;

Mechanism of pyrimidine bases photodimerization

Recent publications:

V.I. Poltev, V.M. Anisimov, V.I. Danilov, A. Deriabina, E. Gonzalez, A. Jurkiewicz, A. Leś, N. Polteva:
DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates Containing Gua and/or Cyt and their Complexes with Na+ Cation,
J. Biomol. Struct. Dyn., 25 (2008) 563-572

V.I. Danilov, T. van Morik:
The Quantum Chemical Study of the Planar and Stacked Associates of the Adenine and Thymine Bases of DNA by PM6 Method: The Nature of the Base Stacking,
Molecular Physics, 106(2008) 1487–1494

V. I. Poltev, V.M. Anisimov, V.I. Danilov, A. Deriabina, E. Gonzalez , D. Garcia, F. Rivas, A. Jurkiewicz, A. Leś, and N. Polteva:
DFT study of minimal fragments of nucleic acid single chain for explication of sequence dependence of DNA duplex conformation
J. Mol. Struct. THEOCHEM, 912 (2009) 53.

T. van Morik, V.I. Danilov, V.V. Dailidonis, N. Kurita, H. Wakabayashi, T. Tsukamoto:
A DFT study of uracil and 5-bromouracil in nanodroplets,
Theor. Chim. Acc.,125 (2010) 233-244

V.I. Poltev, V.M. Anisimov, V.I. Danilov, T. van Morik, A. Deriabina, E. Gonzalez, M. Padua, D. Garcia, F. Rivas, and N. Polteva
DFT Study of Polymorphism of the DNA Double Helix at the Level of Dinucleoside Monophosphates,
Int. J. Quant. Chem., 110 (2010) 2548-2559

V.I. Poltev, V.M. Anisimov, V.I. Danilov, A. Deriabina, E. González, R. Salazar, D. Garcia, F. Rivas, N. Polteva:
Dependence at the Level of DFT Study of DNA Sequence Dinucleoside Monophosphates,
Computational and Theoretical Chemistry(in press)

 V.I. Danilov, V.V. Dailidonis, T. van Morik, H. Fruchtl:
 The study of the nucleic acid base-stacking by Monte Carlo method: Extended cluster approach, 
J. Biomol. Struct. Dyn (in press).