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AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.

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Title: AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.
Authors: Arcon JP; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA., Modenutti CP; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina., Avendaño D; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina., Lopez ED; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina., Defelipe LA; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina., Ambrosio FA; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.; Dipartimento di Scienze della Salute, Università degli Studi 'Magna Græcia,' Viale Europa, Catanzaro, Italy., Turjanski AG; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina., Forli S; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA., Marti MA; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.
Source: Bioinformatics (Oxford, England) [Bioinformatics] 2019 Oct 01; Vol. 35 (19), pp. 3836-3838.
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Oxford University Press Country of Publication: England NLM ID: 9808944 Publication Model: Print Cited Medium: Internet ISSN: 1367-4811 (Electronic) Linking ISSN: 13674803 NLM ISO Abbreviation: Bioinformatics Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Arcon+JP%22">Arcon JP</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Modenutti+CP%22">Modenutti CP</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.<br /><searchLink fieldCode="AU" term="%22Avendaño+D%22">Avendaño D</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.<br /><searchLink fieldCode="AU" term="%22Lopez+ED%22">Lopez ED</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.<br /><searchLink fieldCode="AU" term="%22Defelipe+LA%22">Defelipe LA</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.<br /><searchLink fieldCode="AU" term="%22Ambrosio+FA%22">Ambrosio FA</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.; Dipartimento di Scienze della Salute, Università degli Studi 'Magna Græcia,' Viale Europa, Catanzaro, Italy.<br /><searchLink fieldCode="AU" term="%22Turjanski+AG%22">Turjanski AG</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.<br /><searchLink fieldCode="AU" term="%22Forli+S%22">Forli S</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Marti+MA%22">Marti MA</searchLink>; Departamento de Química Biológica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires C1428EHA, Argentina.
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