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Predicting molecular docking of per- and polyfluoroalkyl substances to blood protein using generative artificial intelligence algorithm DiffDock.

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Title: Predicting molecular docking of per- and polyfluoroalkyl substances to blood protein using generative artificial intelligence algorithm DiffDock.
Authors: B Fortela DL; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA., Mikolajczyk AP; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA., Carnes MR; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA., Sharp W; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.; Department of Civil Engineering, University of Louisiana, Lafayette, LA 70504, USA., Revellame E; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA., Hernandez R; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA., Holmes WE; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA., Zappi ME; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.
Source: BioTechniques [Biotechniques] 2024 Jan; Vol. 76 (1), pp. 14-26. Date of Electronic Publication: 2023 Nov 10.
Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8306785 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1940-9818 (Electronic) Linking ISSN: 07366205 NLM ISO Abbreviation: Biotechniques Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Predicting molecular docking of per- and polyfluoroalkyl substances to blood protein using generative artificial intelligence algorithm DiffDock.
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  Data: <searchLink fieldCode="AU" term="%22B+Fortela+DL%22">B Fortela DL</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Mikolajczyk+AP%22">Mikolajczyk AP</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Carnes+MR%22">Carnes MR</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Sharp+W%22">Sharp W</searchLink>; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.; Department of Civil Engineering, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Revellame+E%22">Revellame E</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Hernandez+R%22">Hernandez R</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Holmes+WE%22">Holmes WE</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.<br /><searchLink fieldCode="AU" term="%22Zappi+ME%22">Zappi ME</searchLink>; Department of Chemical Engineering, University of Louisiana, Lafayette, LA 70504, USA.; Energy Institute of Louisiana, University of Louisiana, Lafayette, LA 70504, USA.
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  Data: <searchLink fieldCode="JN" term="%228306785%22">BioTechniques</searchLink> [Biotechniques] 2024 Jan; Vol. 76 (1), pp. 14-26. <i>Date of Electronic Publication: </i>2023 Nov 10.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8306785 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1940-9818 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207366205%22">07366205 </searchLink><i>NLM ISO Abbreviation: </i>Biotechniques <i>Subsets: </i>MEDLINE
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