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data/02_intermediate/dudez.tar.lrz pdbqt and pdb only 43 targets
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创建时间:
2024-11-30
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BindingDB Entry 50018784: Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy.
Small molecule binding data for protein Aromatase, Uniprot P11511
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Docking scores and energy minimization of target proteins.
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Deciphering the in silico molecular mechanism of coumestrol activity for uterine fibroids remedy: a promising estrogenic target drug candidate
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Best docking scores among the different LeuRS domains.
Best docking scores among the different LeuRS domains.
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The docking parameters and scores of hub targets with their optimal ligands.
The docking parameters and scores of hub targets with their optimal ligands.
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