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. |
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| 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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