#drug design — Tuesday, February 03, 2026 (2 items)
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De novo protein-ligand design including protein flexibility and conformational adaptation.
(academic.oup.com)
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Bioinformatics 2026-02-03 | #modeling #protein structure #drug design #docking | |
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The BK channel-NS1619 agonist complex reveals molecular insights into allosteric activation gating.
(pnas.org)
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PNAS 2026-02-03 | #cryo-em #ion channel #simulation #drug design #gating |