Mutation-Guided Recovery of Ligand-Compatible Holo-Like Conformations in Proteins with Cryptic Pockets.

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Title: Mutation-Guided Recovery of Ligand-Compatible Holo-Like Conformations in Proteins with Cryptic Pockets.
Authors: Routh R; Department of Chemical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.; Centre for Biomedical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India., Radhakrishna M; Department of Chemical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.; Centre for Biomedical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Sep 14; Vol. 66 (17), pp. 11226-11245.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
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  Data: Mutation-Guided Recovery of Ligand-Compatible Holo-Like Conformations in Proteins with Cryptic Pockets.
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  Data: <searchLink fieldCode="AU" term="%22Routh+R%22">Routh R</searchLink>; Department of Chemical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.; Centre for Biomedical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.<br /><searchLink fieldCode="AU" term="%22Radhakrishna+M%22">Radhakrishna M</searchLink>; Department of Chemical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.; Centre for Biomedical Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat382055, India.
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        Value: 10.1021/acs.jcim.6c01260
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        Text: English
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        StartPage: 11226
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      – TitleFull: Mutation-Guided Recovery of Ligand-Compatible Holo-Like Conformations in Proteins with Cryptic Pockets.
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            NameFull: Routh R
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              Text: 2026 Sep 14
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              Y: 2026
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