SwissDock, a protein-small molecule docking web service based on EADock DSS

SwissDock, a protein-small molecule docking web service based on EADock DSS

2011, Vol. 39, Web Server issue | Aurélien Grosdidier, Vincent Zoete and Olivier Michielin
SwissDock is a web-based protein-small molecule docking service built on the EADock DSS engine. It aims to make docking software more accessible and user-friendly, particularly for non-experts in molecular modeling. The service provides a web interface for submitting docking jobs, with setup scripts to curate common problems and prepare input files for target proteins and ligands. An Ajax/HTML interface allows users to submit and retrieve predicted complexes easily. For automated tasks, a SOAP interface is available, along with template programs in Perl, Python, and PHP. The website also offers a curated database of manually curated complexes and a community forum for user interactions. The performance of SwissDock is assessed through a blind docking assay on 251 test complexes, showing high success rates, especially for small and rigid ligands. The service is available at http://www.swissdock.ch, contributing to the broader adoption of docking tools in various scientific fields.SwissDock is a web-based protein-small molecule docking service built on the EADock DSS engine. It aims to make docking software more accessible and user-friendly, particularly for non-experts in molecular modeling. The service provides a web interface for submitting docking jobs, with setup scripts to curate common problems and prepare input files for target proteins and ligands. An Ajax/HTML interface allows users to submit and retrieve predicted complexes easily. For automated tasks, a SOAP interface is available, along with template programs in Perl, Python, and PHP. The website also offers a curated database of manually curated complexes and a community forum for user interactions. The performance of SwissDock is assessed through a blind docking assay on 251 test complexes, showing high success rates, especially for small and rigid ligands. The service is available at http://www.swissdock.ch, contributing to the broader adoption of docking tools in various scientific fields.
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