Library size in virtual screening: is it truly a number's game?

Maria Kontoyianni

doi:10.1080/17460441.2022.2130244

Library size in virtual screening: is it truly a number's game?

Expert Opin Drug Discov. 2022 Nov;17(11):1177-1179. doi: 10.1080/17460441.2022.2130244. Epub 2022 Oct 4.

Author

Maria Kontoyianni¹

Affiliation

¹ Department of Pharmaceutical Sciences, Southern Illinois University Edwardsville, Edwardsville, IL, USA.

PMID: 36196482
DOI: 10.1080/17460441.2022.2130244

No abstract available

Keywords: Virtual screening; large-scale docking; library size; structure-based virtual screening; ultra-high throughput virtual screening; ultra-large compound collections; ultra-large library docking.

Publication types

Editorial

MeSH terms

Humans
Models, Molecular
Molecular Docking Simulation
Molecular Structure*