Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Yury V. Milchevskiy"'
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 21, p 15656 (2023)
Protein structure prediction continues to pose multiple challenges despite outstanding progress that is largely attributable to the use of novel machine learning techniques. One of the widely used representations of local 3D structure—protein block
Externí odkaz:
https://doaj.org/article/a03a0369470b4da8bc208c37929d1943
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