DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins
Research article
[키워드] addition
binding affinities
binding energy
binding mode
conformation
conformations
correlation
COVID-19
COVID-19 pandemic
crystallographic structure
dataset
docking
effective inhibitor
effort
Ensemble docking
flexible
highlight
in silico
inhibitor
inhibitors
Ligand
ligands
molecular
molecular docking
molecular dynamics
platform
producing
Protein
Protein Data Bank
provide
receptor
Receptor flexibility
Research
resolved
SARS-CoV-2
SARS-CoV-2 protein
SARS-CoV-2 proteins
shown
temperature
tested
Virtual screening
[DOI] 10.1016/j.compbiomed.2021.104943 [Article Type] Research article
[DOI] 10.1016/j.compbiomed.2021.104943 [Article Type] Research article