Conference publications

Abstracts

XXV conference

Molecular Modeling

Contents : Authors

• Древаль В.Д., Федоров В.А., Холина Е.Г., Коваленко И.Б., Гудимчук Н.Б. Исследование процессов сборки и разборки микротрубочки комбинированным методом броуновской и молекулярной динамики (2018) 1 pp. (accepted)
• Виноградов Д.С., Черёмушкин И.В., Ульянов Е.В., Гудимчук Н.Б. Учёт изогнутой конформации тубулина в кинетической модели динамики микротрубочки (2018) 1 pp. (accepted)
• Горшкова Ю.Е., Душанов Э.Б. Взаимодействие диэтилсульфоксида с фосфатидилхолиновыми мембранами по данным молекулярной динамики и малоуглового рассеяния нейтронов (2018) 1 pp. (accepted)
• Тычинин Д.И., Прутков А.Н., Матвеев А.В., Боздаганян М.Е. Поиск и оптимизация эффективных ингибиторов пуриннуклеозидфосфорилаз методами компьютерного моделирования (2018) 1 pp. (accepted)
• Щербаков К.А., Веселовский А.В., Щербинин Д.С. Modelling of an interaction of 17(20)Z- and 17(20)E-pregna-5,17(20)-dien with human androgen receptor (2018) 1 pp. (accepted)
• Хомич Д.А., Нестеренко А.М., Ермаков Ю.А., Молотковский Р.Ю. Изучение молекулярных механизмов адсорбции полилизина на липидные мембраны комбинированного состава (2018) 1 pp. (accepted)
• Минин К.А., Жмуров А.А. Фазовый переход при растяжении суперспиралей (2018) 1 pp. (accepted)
• Холина Е.Г., Коваленко И.Б., Орехов Ф.С., Боздаганян М.Е., Страховская М.Г. Cоздание крупно-зернистой модели одиночной молекулы липополисахарида P.aeruginosa (2018) 1 pp. (accepted)
• Судаков Р.В., Зленко Д.В. Изменение конформации белка ОСР при мутационных изменениях (2018) 1 pp. (accepted)
• Краснобаева Л.А., Якушевич Л.В. Расчет динамических характеристик кинков, активированных в плазмиде PBR322 (2018) 1 pp. (accepted)
• Генык Е.А., Бирюкова М.М., Золотарева Н.В. Квантово-химический расчет структуры, частот колебаний, свойств триметоприма и его ионизированных форм (2018) 1 pp. (accepted)
• Abaturova A.M., Fedorov V.A., Kovalenko I.B. Significance of local surface electrostatic charges of proteins in Brownian dynamics model of Fd-FNR formation of encounter complexes (2018) 1 pp. (accepted)
• Belega E.D. Influence of potential on the dynamics of water clusters (2018) 1 pp. (accepted)
• Dokukin S.A., Kolesnikov S.V., Saletsky A.M., Klavsyuk A.L. Investigation of the Pt-Cu surface alloy formation with the Self-learning kinetic Monte Carlo algorithm (2018) 1 pp. (accepted)
• Dushanov E. Dynamics of the ionotropic NMDA receptor with damage of the activating motives (2018) 1 pp. (accepted)
• Dushanov E.B., Altasky M.V., Koltovaya N.A. Computational verification of two hypothesis of inosine triphosphate pyrophosphatase inactivation by Pro32Thr in human (2018) 1 pp. (accepted)
• Fedorov V.A., Khruschev S.S., Kovalenko I.B. Electron-transfer protein-protein cytochrome f and plastocyanin complex formation in higer plants and cyanobacteria (2018) 1 pp. (accepted)
• Fedorov V.A., Khruschev S.S., Kovalenko I.B., Riznichenko G.Yu., Rubin A.B. Electron-transfer protein-protein complex formation ferredoxin from Chlamydomonas Reinhardtii with Ferredoxin-NADP+ reductase from Zеa mаys and hydrogenase from Chlamydomonas reinhardtii (2018) 1 pp. (accepted)
• Goncharova A.S., Orekhov F.S. Study of interactions of nanotubes with lipid membranes in silico (2018) 1 pp. (accepted)
• Iagafarova K.M., Zhmurov A.A. Molecular modelling study of DNA packaging inside spherical shell (2018) 1 pp. (accepted)
• Kalashnikov A.V., Tuchin A.V., Bityutskaya L.A., Bormontov E.N. Features electronic adjustment multigrafen / 2D-SIC heterostructures (2018) 1 pp. (accepted)
• Khrenova M.G., Nemukhin A.V. Molecular modeling of mechanism of antibiotics hydrolysis by metallo-beta- lactamases (2018) 2 pp. (accepted)
• Kirillov I.V., Zhmurov A.A., Zhmurova N.V. Iterative method for parametrization of coarse-grained model based on full-atomic equilibrium dynamics (2018) 1 pp. (accepted)
• Kondratev M.S., Terentiev V.V., Shitov A.V. Molecular design of algal growth inhibitors. QM study (2018) 1 pp. (accepted)
• Korobov N.A., Nazarenko K.M., Nazarenko E.S., Markov P.N. A suite of programs for the conformational search of equilibrium geometries of molecular clusters (2018) 1 pp. (accepted)
• Kots E.D. Molecular Modeling of regulatory processes in aspartoacylase enzyme (2018) 1 pp. (accepted)
• Krivitskaya A.V., Khrenova M.G., Tsirelson V.G. Interaction of antibiotics with the active site of metal-beta-lactamase: reconstruction of electronic factors (2018) 1 pp. (accepted)
• Kulakova A., Khrenova M., Nemukhin A. Molecular modeling of K-Ras-G12C inhibition mechanism by prototype compound ARS-853 (2018) 1 pp. (accepted)
• Kuznetsov A.S., Efremov R.G. The role of lipid environment in a dimer formation of glycophorin A (2018) 1 pp. (accepted)
• Molotkovsky R.J., Galimzyanov T.R., Akimov S.A. Transition between successful and deadlock intermediates at the initial stage of membrane fusion (2018) 1 pp. (accepted)
• Nikonov E.G., Pavluš M., Popovičová M. Molecular-dynamic simulation of water vapor interaction with suffering pore of the cylindrical type (2018) 1 pp. (accepted)
• Okenov A.O., Iaparov B.Ya., Moskvin A.S. Internal friction as a key parameter governing the temperature sensitivity of TRP channels (2018) 1 pp. (accepted)
• Ramazanov R.R. A luminophores based on complexes of biopolymers and silver clusters: revealing of the structure using QM/MM models and the data of luminescence spectroscopy (2018) 2 pp. (accepted)
• Tereshkin E.V., Chulichkov A.L., Kovalenko V.V., Tereshkina K.B., Krupyanskii Y.F. Modeling of DNA and DNA-Stabilizing Protein DPS Nanocrystals Dynamics (2018) 1 pp. (accepted)
• Tsirelson V.G. Chemical bond and intermolecular interactions: will be the paradigm changed? (2018) 2 pp. (accepted)
• Vinnikov A.V., Korobov N.A., Nazarenko K.M. Optimization monitoring of molecular clusters mathematical modeling (2018) 2 pp. (accepted)
• Yaroshevich I. Dynamics of the carotenoids and carotene-containing proteins. Theoretical study (2018) 1 pp. (accepted)

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