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

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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
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  Data: Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics.
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  Data: <searchLink fieldCode="AU" term="%22Coricello+A%22">Coricello A</searchLink>; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy.<br /><searchLink fieldCode="AU" term="%22Chiaravalle+AL%22">Chiaravalle AL</searchLink>; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy.<br /><searchLink fieldCode="AU" term="%22Musgaard+M%22">Musgaard M</searchLink>; OMass Therapeutics Ltd., Building 4000, John Smith Dr, Oxford Business Park, ARC, OX4 2GX Oxford, U.K.<br /><searchLink fieldCode="AU" term="%22Tehan+BG%22">Tehan BG</searchLink>; OMass Therapeutics Ltd., Building 4000, John Smith Dr, Oxford Business Park, ARC, OX4 2GX Oxford, U.K.<br /><searchLink fieldCode="AU" term="%22Elisi+GM%22">Elisi GM</searchLink>; Department of Biomolecular Sciences, Università degli Studi di Urbino Carlo Bo, Piazza Rinascimento 6, 61029 Urbino, Italy.<br /><searchLink fieldCode="AU" term="%22Bottegoni+G%22">Bottegoni G</searchLink>; 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.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2025 Jul 14; Vol. 65 (13), pp. 7129-7142. <i>Date of Electronic Publication: </i>2025 Jun 16.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.5c00601
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      – TitleFull: Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics.
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              Text: 2025 Jul 14
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