Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Yury V. Milchevskiy"'
Autor:
Vladislava Milchevskaya, Alexei M Nikitin, Sergey A Lukshin, Ivan V Filatov, Yuri V Kravatsky, Vladimir G Tumanyan, Natalia G Esipova, Yury V Milchevskiy
Publikováno v:
PLoS ONE, Vol 16, Iss 5, p e0239793 (2021)
MotivationLocal protein structure is usually described via classifying each peptide to a unique class from a set of pre-defined structures. These classifications may differ in the number of structural classes, the length of peptides, or class attribu
Externí odkaz:
https://doaj.org/article/4f812bd7048f403ea4c504eeea3144d5
Autor:
Vladimir G. Tumanyan, Sergey A. Lukshin, Yuri V. Kravatsky, A. M. Nikitin, Yury V. Milchevskiy, Vladislava Milchevskaya, Natalia G. Esipova, Ivan V. Filatov
Publikováno v:
PLoS ONE
PLoS ONE, Vol 16, Iss 5, p e0239793 (2021)
PLoS ONE, Vol 16, Iss 5, p e0239793 (2021)
MotivationLocal protein structure is usually described via classifying each peptide to a unique element from a set of pre-defined structures. These so-called structural alphabets may differ in the number of structures or the length of peptides. Most
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ed46a8631bd30da5696824bf47df492
http://europepmc.org/articles/PMC8136669
http://europepmc.org/articles/PMC8136669
Publikováno v:
The journal of physical chemistry. B. 119(46)
A molecular mechanics force field of the AMBER/OPLS family for perfluoroalkanes, noble gases, and their mixtures with alkanes has been proposed. We had to abandon the traditional Lorentz–Berthelot combining rules for the Lennard-Jones potential to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69e58a64718f2d293831482592eee471
https://pubmed.ncbi.nlm.nih.gov/26498002
https://pubmed.ncbi.nlm.nih.gov/26498002
Publikováno v:
Journal of Molecular Modeling. 20
We present a new force field parameter set for simulating alkanes. Its functional form and parameters are chosen to make it directly compatible with the AMBER94/99/12 family of force fields implemented in the available software. The proposed paramete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf1d5e1b3b8099c8fa09bf15cefddcd9
https://doi.org/10.1007/s00894-014-2143-6
https://doi.org/10.1007/s00894-014-2143-6