{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,16]],"date-time":"2026-04-16T07:03:09Z","timestamp":1776322989978,"version":"3.50.1"},"reference-count":9,"publisher":"Oxford University Press (OUP)","issue":"13","license":[{"start":{"date-parts":[[2017,3,3]],"date-time":"2017-03-03T00:00:00Z","timestamp":1488499200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/about_us\/legal\/notices"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2017,7,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>The identification and tracking of molecules which enter active site cavity requires screening the positions of thousands of single molecules along several thousand molecular dynamic steps. To fill the existing gap between tools searching for tunnels and pathways and advanced tools employed for accelerated water flux investigations, we have developed AQUA-DUCT.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>AQUA-DUCT is an easy-to-use tool that facilitates analysis of the behaviour of molecules that penetrate any selected region in a protein. It can be used for any type of molecules, e.g. water, oxygen, carbon dioxide, organic solvents, ions.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and Implementation<\/jats:title>\n                  <jats:p>Linux, Windows, macOS, OpenBSD, http:\/\/www.aquaduct.pl.<\/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\/btx125","type":"journal-article","created":{"date-parts":[[2017,3,1]],"date-time":"2017-03-01T12:39:27Z","timestamp":1488371967000},"page":"2045-2046","source":"Crossref","is-referenced-by-count":30,"title":["AQUA-DUCT: a ligands tracking tool"],"prefix":"10.1093","volume":"33","author":[{"given":"Tomasz","family":"Magdziarz","sequence":"first","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Karolina","family":"Mitusi\u0144ska","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"},{"name":"Institute of Automatic Control, Silesian University of Technology, Akademicka 16, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sandra","family":"Go\u0142dowska","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"},{"name":"Institute of Automatic Control, Silesian University of Technology, Akademicka 16, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alicja","family":"P\u0142uciennik","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"},{"name":"Institute of Automatic Control, Silesian University of Technology, Akademicka 16, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Micha\u0142","family":"Stolarczyk","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"},{"name":"Institute of Automatic Control, Silesian University of Technology, Akademicka 16, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Magdalena","family":"\u0141ugowska","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"},{"name":"Institute of Automatic Control, Silesian University of Technology, Akademicka 16, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Artur","family":"G\u00f3ra","sequence":"additional","affiliation":[{"name":"Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, Gliwice, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2017,3,3]]},"reference":[{"key":"2023020206012776800_btx125-B1","doi-asserted-by":"crossref","first-page":"5206","DOI":"10.1021\/ct500791e","article-title":"Solvent flux method (SFM): a case study of water access to Candida antarctica lipase B","volume":"10","author":"Benson","year":"2014","journal-title":"J. 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