Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
Autodock
COVID-19
Drug Repurposing
Ensemble Docking
High-Throughput Screening
MPro
NSP10
NSP15
NSP16
NSP3
NSP9
Nucelocapsid (N) Protein
PLPro
SARS CoV-2
Spike (S) Protein
Supercomputing
T-REMD
Journal
ChemRxiv : the preprint server for chemistry
ISSN: 2573-2293
Titre abrégé: ChemRxiv
Pays: United States
ID NLM: 101720906
Informations de publication
Date de publication:
29 Jul 2020
29 Jul 2020
Historique:
revised:
29
07
2020
entrez:
17
11
2020
pubmed:
18
11
2020
medline:
18
11
2020
Statut:
epublish
Résumé
We present a supercomputer-driven pipeline for
Identifiants
pubmed: 33200117
doi: 10.26434/chemrxiv.12725465
pii: 12725465
pmc: PMC7668744
doi:
Types de publication
Preprint
Langues
eng
Commentaires et corrections
Type : UpdateIn
Déclaration de conflit d'intérêts
The authors declare no conflicts of interest
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