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10.1142/S0219720020500432

http://scihub22266oqcxt.onion/10.1142/S0219720020500432
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33215965!ä!33215965

suck abstract from ncbi


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pmid33215965      J+Bioinform+Comput+Biol 2021 ; 19 (1): 2050043
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  • An innovative method for the selection of inhibitors of the viral spike-glycoprotein of the SARS-CoV #MMPMID33215965
  • Koshlan TV; Kulikov KG
  • J Bioinform Comput Biol 2021[Feb]; 19 (1): 2050043 PMID33215965show ga
  • This paper has developed and described a detailed method for selecting inhibitors based on modified natural peptides for the SARS-CoV BJ01 spike-glycoprotein. The selection of inhibitors is carried out by increasing the affinity of the peptide to the active center of the protein. This paper also provides a step-by-step algorithm for analyzing the affinity of protein interactions and presents an analysis of energy interactions between the active center of a protein and the wild-type peptide interacting with it, taking into account modifications of the latter. A description of the software package that implements the presented algorithm is given on the website https://binomlabs.com/covid19.
  • |Algorithms[MESH]
  • |Amino Acid Substitution[MESH]
  • |Antiviral Agents/*pharmacology[MESH]
  • |Catalytic Domain[MESH]
  • |Drug Evaluation, Preclinical/*methods[MESH]
  • |Entropy[MESH]
  • |Protein Interaction Domains and Motifs/genetics[MESH]
  • |Proteins/chemistry/genetics/metabolism/pharmacology[MESH]
  • |Software[MESH]


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