The studying of the interaction of VSTx1 toxin from the venom of the spider with the potential-sensitive domain of the potassium channel KvAP using NMR-spectroscopy and molecular modeling
1Moscow Institute of Physics and Technology 2M.M.Shemyakin and Yu.A.Ovchinnikov Institute of Bioorganic Chemistry of Russian Academy of Sciences 3Higher School of Economics
The work purpose is the study of the mechanisms of activation-inactivation of the potential-sensitive ion channels and their interaction with ligands using NMR-spectroscopie and molecular modeling
1Saratov State University of N.G.Chernyshevsky 2Institute of geochemistry and analytical chemistry of V.I.Vernadskogo RAN
It is shown that the interaction of the molecule-rod with the water molecules leads to a change in its conformation and prevents sliding rotaxane ring along the rod. The rupture of the hydrogen bond changes the conformation of the molecules-rod, which allows the ring to move, changing the system state from "disabled" to "enabled"
1Saratov State University of N.G.Chernyshevsky 2Institute of geochemistry and analytical chemistry of V.I.Vernadskogo RAN
Electronic absorption spectra of a fragment of single-walled carbon nanotubes (SWCNT) have been calculated. By the method of molecular modeling was carried out functionalization of nanotubes with oxygen atoms. Was determined by the energy of covalent bonds and the geometric parameters of oxygen-functionalized SWCNT swcnt. The calculations of the electronic spectra of SWCNT and SWCNT functionalized with oxygen were performed
1Saratov State University of N.G.Chernyshevsky 2Institute of geochemistry and analytical chemistry of V.I.Vernadskogo RAN
In this work, the method of molecular modelling is used to determine the geometrical parameters and the electronic absorption spectrum of the structural element is a benzene-1,4-dithiolate switch M. reed and J. Tour in the ground state
The influence of water on the structure of L-tryptophan in 1Lb and 1La electronic states
1Ten G.N.,
2Scherbakova N.E., 3Baranov V.I.
1Saratov State University of N.G.Chernyshevsky 2Russian Research Anti-Plague Institute «Microbe» 3Institute of geochemistry and analytical chemistry of V.I.Vernadskogo RAN
In this work it was determined the influence of water located between the bipolar groups of the zwitterionic-ion on the geometrical parameters of Trp in 1Lb and 1La of electron-excited states
Comparison of conservatism of key proteins involved in meiotic silencing of chromatin and the practical use of these data in immunocytochemical studies
Grishaeva T.M.
N.I. Vavilov Institute of General Genetics Russian Academy of Sciences
Some parameters of the key proteins of silencing chromatin were analyzed by methods of bioinformatics: SUMO1 (Small Ubiquitin-related Modifier 1 length protein of about 100 a.a.), ATR (serine-protein kinase treoninove length protein of about 2600 a.a.) and histone H2AX (length 130-150 a.a.) eight model genetic species from yeast to human. It is established that the most conservative histone H2AX, a fairly conservative protein SUMO1. ATR proteins are similar only in the C-terminal part of the molecule, amounting to about 1/3 of its length
