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Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications.

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Title: Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications.
Authors: Koukos PI; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece., Dehghani-Ghahnaviyeh S; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Velez-Vega C; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Manchester J; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Tieleman DP; Department of Biological Sciences, University of Calgary, Calgary T2N 1N4 Alberta, Canada.; Centre for Molecular Simulation, University of Calgary, Calgary T2N 1N4 Alberta, Canada., Duca JS; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States., Souza PCT; Molecular Microbiology and Structural Biochemistry, (MMSB, UMR 5086), CNRS & University of Lyon, 69367 Lyon, France.; Laboratory of Biology and Modeling of the Cell, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5239 and Inserm U1293, 46 Allée d'Italie, 69364 Lyon, France., Cournia Z; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2023 Dec 12; Vol. 19 (23), pp. 8901-8918. Date of Electronic Publication: 2023 Nov 29.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications.
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  Data: <searchLink fieldCode="AU" term="%22Koukos+PI%22">Koukos PI</searchLink>; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece.<br /><searchLink fieldCode="AU" term="%22Dehghani-Ghahnaviyeh+S%22">Dehghani-Ghahnaviyeh S</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Velez-Vega+C%22">Velez-Vega C</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Manchester+J%22">Manchester J</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Tieleman+DP%22">Tieleman DP</searchLink>; Department of Biological Sciences, University of Calgary, Calgary T2N 1N4 Alberta, Canada.; Centre for Molecular Simulation, University of Calgary, Calgary T2N 1N4 Alberta, Canada.<br /><searchLink fieldCode="AU" term="%22Duca+JS%22">Duca JS</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Souza+PCT%22">Souza PCT</searchLink>; Molecular Microbiology and Structural Biochemistry, (MMSB, UMR 5086), CNRS & University of Lyon, 69367 Lyon, France.; Laboratory of Biology and Modeling of the Cell, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5239 and Inserm U1293, 46 Allée d'Italie, 69364 Lyon, France.<br /><searchLink fieldCode="AU" term="%22Cournia+Z%22">Cournia Z</searchLink>; Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece.
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        Value: 10.1021/acs.jctc.3c00604
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              Text: 2023 Dec 12
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