38 citations · 131 across the 10 of their papers we have counts for
3 papers · 1 filter
Computational Study of Molecular Mechanisms of Caffeine Actions
V. I. Poltev, E. Rodriguez, T. I. Grokhlina +3
Caffeine (CAF) is one of the most widely and regularly consumed biologically active substances. We use computer simulation approach to the study of CAF activity by searching for it…
The study of water shell structure of double-helical B-DNA fragments using parallel computing
Alexander V. Teplukhin, Yulia S. Lemesheva
Something about structure of the water shell of DNA and how it can help to design of novel biologically-active molecules and potential drugs with sequence-specific binding to nucle…
DNA bending and "structural" waters in major and minor grooves of A-tracts. Monte Carlo computer simulations
Alexander V. Teplukhin, Valery I. Poltev, Victor B. Zhurkin
To elucidate the possible role of structural waters in stabilizing bent DNA, various conformations of AT-containing decamers, (A5T5)2 and A10:T10, were studied by Monte Carlo simul…