{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T16:25:25Z","timestamp":1787761525681,"version":"build-2784847793"},"reference-count":11,"publisher":"Oxford University Press (OUP)","issue":"13","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2013,7,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Summary: pyDockWEB is a web server for the rigid-body docking prediction of protein\u2013protein complex structures using a new version of the pyDock scoring algorithm. We use here a new custom parallel FTDock implementation, with adjusted grid size for optimal FFT calculations, and a new version of pyDock, which dramatically speeds up calculations while keeping the same predictive accuracy. Given the 3D coordinates of two interacting proteins, pyDockWEB returns the best docking orientations as scored mainly by electrostatics and desolvation energy.<\/jats:p>\n               <jats:p>Availability and implementation: The server does not require registration by the user and is freely accessible for academics at http:\/\/life.bsc.es\/servlet\/pydock<\/jats:p>\n               <jats:p>Contact: \u00a0juanf@bsc.es<\/jats:p>\n               <jats:p>Supplementary information: \u00a0Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/btt262","type":"journal-article","created":{"date-parts":[[2013,5,10]],"date-time":"2013-05-10T04:33:54Z","timestamp":1368160434000},"page":"1698-1699","source":"Crossref","is-referenced-by-count":285,"title":["pyDockWEB: a web server for rigid-body protein\u2013protein docking using electrostatics and desolvation scoring"],"prefix":"10.1093","volume":"29","author":[{"given":"Brian","family":"Jim\u00e9nez-Garc\u00eda","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carles","family":"Pons","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Juan","family":"Fern\u00e1ndez-Recio","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2013,5,9]]},"reference":[{"key":"2023062614232359100_btt262-B1","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1145\/1048935.1050176","article-title":"MPICH-V2: a fault tolerant MPI for volatile nodes based on pessimistic sender based message logging","volume-title":"Proceedings of the SC2003 ACM\/IEEE conference on Supercomputing","author":"Bouteiller","year":"2003"},{"key":"2023062614232359100_btt262-B11","doi-asserted-by":"crossref","first-page":"1669","DOI":"10.1016\/j.jmb.2006.01.001","article-title":"Efficient restraints for protein-protein docking by comparison of observed amino acid substitution patterns with those predicted from local environment","volume":"357","author":"Chelliah","year":"2006","journal-title":"J. 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