Prediction of Protein–ligand Interaction Based on Sequence Similarity and Ligand Structural Features

Autor: Dmitry Karasev, Alexey Lagunin, Dmitry Filimonov, B. N. Sobolev, Vladimir Poroikov

Publikováno v: International Journal of Molecular Sciences
Volume 21
Issue 21
International Journal of Molecular Sciences, Vol 21, Iss 8152, p 8152 (2020)

Computationally predicting the interaction of proteins and ligands presents three main directions: the search of new target proteins for ligands, the search of new ligands for targets, and predicting the interaction of new proteins and new ligands. W

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f83ff7c36585d3262392c3b8f230ca5

РАСПОЗНАВАНИЕ АМИНОКИСЛОТНЫХ ОСТАТКОВ, ОБУСЛАВЛИВАЮЩИХ СПЕЦИФИЧНОЕ ВЗАИМОДЕЙСТВИЕ ПРОТЕИНКИНАЗ С НИЗКОМОЛЕКУЛЯРНЫМИ ИНГИБИТОРАМИ, 'Молекулярная биология'

Autor: B N Sobolev, Dmitry Filimonov, A.V. Veselovsky, Alexey Lagunin, D A Karasev

Publikováno v: Молекулярная биология. :555-564

Identifying amino acid positions that determine the specific interaction of proteins with small molecule ligands, is required for search of pharmaceutical targets, drug design, and solution of other biotechnology problems. We studied applicability of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0344877a1219cc1ca67d1d2b93ebec18
https://doi.org/10.7868/s0026898418030199

Prediction of Protein–Ligand Interaction Based on the Positional Similarity Scores Derived from Amino Acid Sequences

Autor: Vladimir Poroikov, Dmitry Filimonov, Alexey Lagunin, B. N. Sobolev, Dmitry Karasev

Publikováno v: International Journal of Molecular Sciences
Volume 21
Issue 1

The affinity of different drug-like ligands to multiple protein targets reflects general chemical&ndash
biological interactions. Computational methods estimating such interactions analyze the available information about the structure of the targ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cc24a57fdac0d1866f809ca881594d7

Prediction of amino acid positions specific for functional groups in a protein family based on local sequence similarity

Autor: Alexander V. Veselovsky, Dmitry Filimonov, Dmitry Karasev, Nina Oparina, B. N. Sobolev

Publikováno v: Journal of Molecular Recognition. 29:159-169

The exchange of single amino acid residue in protein can substantially affect the specificity of molecular recognition. Many protein families can be divided into the groups based on specificity to recognized ligands. Prediction of group-discriminatin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::321992c2154a5e30dd0dd284beabed83
https://doi.org/10.1002/jmr.2515

Way to the peptide vaccine against hepatitis C

Autor: E. F. Kolesanova, Alexander I. Archakov, B. N. Sobolev, E. A. Egorova, A. A. Moysa

Publikováno v: Biomeditsinskaya Khimiya. 61:254-264

In order to surpass the problem of genetic variability of hepatitis C virus envelope proteins during vaccine development, we used the so-called "reverse vaccinology"approach--"from genome to vaccine". Database of HCV protein sequences was designed, v

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02f72a9e997f34324757425c9f7853d9
https://doi.org/10.18097/pbmc20156102254