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The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun. 2024 Mar 21;15(1):2533. doi: 10.1038/s41467-024-46813-8.
Nat Commun. 2024.
PMID: 38514618
Free PMC article.
Concentration-dependent thermodynamic analysis of the partition process of small ligands into proteins.
Cirqueira L, Stock L, Treptow W.
Cirqueira L, et al.
Comput Struct Biotechnol J. 2022 Sep 1;20:4885-4891. doi: 10.1016/j.csbj.2022.08.049. eCollection 2022.
Comput Struct Biotechnol J. 2022.
PMID: 36147679
Free PMC article.
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Atomistic Model for Simulations of the Sedative Hypnotic Drug 2,2,2-Trichloroethanol.
Kiametis AS, Stock L, Cirqueira L, Treptow W.
Kiametis AS, et al. Among authors: cirqueira l.
ACS Omega. 2018 Nov 30;3(11):15916-15923. doi: 10.1021/acsomega.8b02017. Epub 2018 Nov 26.
ACS Omega. 2018.
PMID: 30556017
Free PMC article.
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Binding of the general anesthetic sevoflurane to ion channels.
Stock L, Hosoume J, Cirqueira L, Treptow W.
Stock L, et al. Among authors: cirqueira l.
PLoS Comput Biol. 2018 Nov 26;14(11):e1006605. doi: 10.1371/journal.pcbi.1006605. eCollection 2018 Nov.
PLoS Comput Biol. 2018.
PMID: 30475796
Free PMC article.
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