Cargando…

POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2

Detalles Bibliográficos
Autores principales: Cobre, AF, Junkert, A, Fachi, MM, Böger, B, Surek, M, Wiens, A, Tonin, F, Pontarolo, R
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Published by Elsevier Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8769606/
http://dx.doi.org/10.1016/j.jval.2021.11.1333
_version_ 1784635185609834496
author Cobre, AF
Junkert, A
Fachi, MM
Böger, B
Surek, M
Wiens, A
Tonin, F
Pontarolo, R
author_facet Cobre, AF
Junkert, A
Fachi, MM
Böger, B
Surek, M
Wiens, A
Tonin, F
Pontarolo, R
author_sort Cobre, AF
collection PubMed
description
format Online
Article
Text
id pubmed-8769606
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Published by Elsevier Inc.
record_format MEDLINE/PubMed
spelling pubmed-87696062022-01-20 POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2 Cobre, AF Junkert, A Fachi, MM Böger, B Surek, M Wiens, A Tonin, F Pontarolo, R Value Health Article Published by Elsevier Inc. 2022-01 2022-01-19 /pmc/articles/PMC8769606/ http://dx.doi.org/10.1016/j.jval.2021.11.1333 Text en Copyright © 2021 Published by Elsevier Inc. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Cobre, AF
Junkert, A
Fachi, MM
Böger, B
Surek, M
Wiens, A
Tonin, F
Pontarolo, R
POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title_full POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title_fullStr POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title_full_unstemmed POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title_short POSB422 Machine Learning-Based Virtual Screening, Molecular Docking and Drug-Likeness to Discover New Inhibitors of the Glycoprotein Spike (S1) of SARS-CoV-2
title_sort posb422 machine learning-based virtual screening, molecular docking and drug-likeness to discover new inhibitors of the glycoprotein spike (s1) of sars-cov-2
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8769606/
http://dx.doi.org/10.1016/j.jval.2021.11.1333
work_keys_str_mv AT cobreaf posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT junkerta posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT fachimm posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT bogerb posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT surekm posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT wiensa posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT toninf posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2
AT pontarolor posb422machinelearningbasedvirtualscreeningmoleculardockinganddruglikenesstodiscovernewinhibitorsoftheglycoproteinspikes1ofsarscov2