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Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics.

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Bibliographic Details
Title:	Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics.
Authors:	Coricello A; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy., Chiaravalle AL; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy., Musgaard M; OMass Therapeutics Ltd., Building 4000, John Smith Dr, Oxford Business Park, ARC, OX4 2GX Oxford, U.K., Tehan BG; OMass Therapeutics Ltd., Building 4000, John Smith Dr, Oxford Business Park, ARC, OX4 2GX Oxford, U.K., Elisi GM; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy., Bottegoni G; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy.; Department of Pharmacy, University of Birmingham, Edgbaston, B15 2TT Birmingham, U.K.
Source:	Journal of chemical information and modeling [J Chem Inf Model] 2025 Jul 14; Vol. 65 (13), pp. 7129-7142. Date of Electronic Publication: 2025 Jun 16.
Publication Type:	Journal Article
Journal Info:	Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database:	MEDLINE Ultimate

Description
ISSN:	1549-960X
DOI:	10.1021/acs.jcim.5c00601