{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,23]],"date-time":"2026-03-23T23:02:58Z","timestamp":1774306978749,"version":"3.50.1"},"reference-count":12,"publisher":"Oxford University Press (OUP)","issue":"19","license":[{"start":{"date-parts":[[2019,3,2]],"date-time":"2019-03-02T00:00:00Z","timestamp":1551484800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100003074","name":"Agencia Nacional de Promoci\u00f3n Cient\u00edfica y Tecnol\u00f3gica","doi-asserted-by":"publisher","award":["PICT 2015-2276"],"award-info":[{"award-number":["PICT 2015-2276"]}],"id":[{"id":"10.13039\/501100003074","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002923","name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","doi-asserted-by":"publisher","award":["PIP 2015-2017"],"award-info":[{"award-number":["PIP 2015-2017"]}],"id":[{"id":"10.13039\/501100002923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["R01 GM069832"],"award-info":[{"award-number":["R01 GM069832"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Fulbright Commission and Ministerio de Educaci\u00f3n de la Rep\u00fablica Argentina"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,10,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>The performance of docking calculations can be improved by tuning parameters for the system of interest, e.g. biasing the results towards the formation of relevant protein\u2013ligand interactions, such as known ligand pharmacophore or interaction sites derived from cosolvent molecular dynamics. AutoDock Bias is a straightforward and easy to use script-based method that allows the introduction of different types of user-defined biases for fine-tuning AutoDock4 docking calculations.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>AutoDock Bias is distributed with MGLTools (since version 1.5.7), and freely available on the web at http:\/\/ccsb.scripps.edu\/mgltools\/ or http:\/\/autodockbias.wordpress.com.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz152","type":"journal-article","created":{"date-parts":[[2019,2,27]],"date-time":"2019-02-27T04:30:28Z","timestamp":1551241828000},"page":"3836-3838","source":"Crossref","is-referenced-by-count":67,"title":["AutoDock Bias: improving binding mode prediction and virtual screening using known protein\u2013ligand interactions"],"prefix":"10.1093","volume":"35","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3350-1576","authenticated-orcid":false,"given":"Juan Pablo","family":"Arcon","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"},{"name":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA"}]},{"given":"Carlos P","family":"Modenutti","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]},{"given":"Demian","family":"Avenda\u00f1o","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]},{"given":"Elias D","family":"Lopez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7859-7300","authenticated-orcid":false,"given":"Lucas A","family":"Defelipe","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]},{"given":"Francesca Alessandra","family":"Ambrosio","sequence":"additional","affiliation":[{"name":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA"},{"name":"Dipartimento di Scienze della Salute, Universit\u00e0 degli Studi \u201cMagna Gr\u00e6cia,\u201d Viale Europa , Catanzaro, Italy"}]},{"given":"Adrian G","family":"Turjanski","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5964-7111","authenticated-orcid":false,"given":"Stefano","family":"Forli","sequence":"additional","affiliation":[{"name":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7911-9340","authenticated-orcid":false,"given":"Marcelo A","family":"Marti","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"}]}],"member":"286","published-online":{"date-parts":[[2019,3,2]]},"reference":[{"key":"2023013108194847500_btz152-B1","doi-asserted-by":"crossref","first-page":"846","DOI":"10.1021\/acs.jcim.6b00678","article-title":"Molecular dynamics in mixed solvents reveals protein-ligand interactions, improves docking, and allows accurate binding free energy predictions","volume":"57","author":"Arcon","year":"2017","journal-title":"J. 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