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Our platform features a novel workflow that guides the user through each logical step of the iterative 3D structural optimization setup and drug design process, by providing a seamless interface to all incorporated packages.<\/jats:p>\n               <jats:p>Availability: Drugster can be freely downloaded via our dedicated server system at http:\/\/www.bioacademy.gr\/bioinformatics\/drugster\/.<\/jats:p>\n               <jats:p>Contact: \u00a0dvlachakis@bioacademy.gr.<\/jats:p>","DOI":"10.1093\/bioinformatics\/bts637","type":"journal-article","created":{"date-parts":[[2012,10,27]],"date-time":"2012-10-27T00:18:50Z","timestamp":1351297130000},"page":"126-128","source":"Crossref","is-referenced-by-count":24,"title":["Introducing Drugster: a comprehensive and fully integrated drug design, lead and structure optimization toolkit"],"prefix":"10.1093","volume":"29","author":[{"given":"Dimitrios","family":"Vlachakis","sequence":"first","affiliation":[{"name":"1 Bioinformatics and Medical Informatics Team, Biomedical Research Foundation, Academy of Athens, Athens, Greece and 2Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dimosthenis","family":"Tsagrasoulis","sequence":"additional","affiliation":[{"name":"1 Bioinformatics and Medical Informatics Team, Biomedical Research Foundation, Academy of Athens, Athens, Greece and 2Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vasileios","family":"Megalooikonomou","sequence":"additional","affiliation":[{"name":"1 Bioinformatics and Medical Informatics Team, Biomedical Research Foundation, Academy of Athens, Athens, Greece and 2Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sophia","family":"Kossida","sequence":"additional","affiliation":[{"name":"1 Bioinformatics and Medical Informatics Team, Biomedical Research Foundation, Academy of Athens, Athens, Greece and 2Computer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2012,10,25]]},"reference":[{"key":"2023020303204138700_bts637-B1","volume-title":"The PyMOL Molecular Graphics System DeLano Scientific","author":"DeLano","year":"2002"},{"key":"2023020303204138700_bts637-B2","doi-asserted-by":"crossref","first-page":"W522","DOI":"10.1093\/nar\/gkm276","article-title":"PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations","volume":"35","author":"Dolinsky","year":"2007","journal-title":"Nucleic Acids Res."},{"key":"2023020303204138700_bts637-B3","doi-asserted-by":"crossref","first-page":"W665","DOI":"10.1093\/nar\/gkh381","article-title":"PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations","volume":"32","author":"Dolinsky","year":"2004","journal-title":"Nucleic Acids Res."},{"key":"2023020303204138700_bts637-B4","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1021\/ct700301q","article-title":"GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation","volume":"4","author":"Hess","year":"2008","journal-title":"J. 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