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Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening.
Scoring functions play an essential role in structure-based virtual screening.
We performed structure-based virtual screening targeting the RORγ ligand-binding domain.
Scoring function research remains a primary focus of current structure-based virtual screening (SVS) technology development.
Structure-based virtual screening is currently an established tool in drug lead discovery projects.
A structure-based virtual screening protocol was used to predict Mycobacterium tuberculosis shikimate kinase (MtSk) inhibitors.
Nicola, G. et al. Discovery of novel inhibitors targeting enoyl-acyl carrier protein reductase in Plasmodium falciparum by structure-based virtual screening.
Siddiquee K, Zhang S, Guida WC, et al. Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity.
In this study, a series of compounds were identified as potential inhibitors through structure-based virtual screening.
Ligand- and structure-based virtual screening methods were employed to identify novel non-hydroxamate histone deacetylase (HDAC) inhibitors.
Previously, we had reported a small molecule inhibitor of the uPAR·uPA interaction that emerged from structure-based virtual screening.
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