Computational approaches for parameterization of aminoacyl-tRNA synthetase substrates
Aim. To parameterize a modified chained residue and use a newborn topology for molecular dynamics simulation. Methods. To deal with the problem, a series of ab initio and semi-empirical methods were combined. The RESP (Restrained ElectroStatic Potential) program, which fits molecular electrostatic p...
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| Date: | 2018 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут молекулярної біології і генетики НАН України
2018
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| Series: | Вiopolymers and Cell |
| Subjects: | |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/154343 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Computational approaches for parameterization of aminoacyl-tRNA synthetase substrates / O.V. Rayevsky, M.A. Tukalo // Вiopolymers and Cell. — 2018. — Т. 34, № 3. — С. 239-248. — Бібліогр.: 19 назв. — англ. |