http://wiki.docking.org/index.php?action=history&feed=atom&title=Virtual_screening
Virtual screening - Revision history
2026-05-26T01:50:25Z
Revision history for this page on the wiki
MediaWiki 1.39.1
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4639&oldid=prev
Therese: 5 revisions
2012-10-08T20:33:15Z
<p>5 revisions</p>
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Therese
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4638&oldid=prev
Frodo at 21:34, 6 August 2009
2009-08-06T21:34:25Z
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Frodo
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4637&oldid=prev
JohnIrwin at 21:14, 20 September 2007
2007-09-20T21:14:27Z
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JohnIrwin
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4636&oldid=prev
JohnIrwin at 16:47, 13 April 2007
2007-04-13T16:47:37Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 16:47, 13 April 2007</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>'''Virtual Screening''' is [[molecular docking]] in high throughput.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>'''Virtual Screening''' <ins style="font-weight: bold; text-decoration: none;">or virtual high-throughput screening (vHTS) </ins>is [[molecular docking]] in high throughput.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>{{Wiktionary}}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>{{Wiktionary}}</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">vHTS is an important tool in early stage ligand discovery for targets where a structure of the target is available. vHTS docks a database of small molecules against a target, often a protein, using a molecular docking program. It ranks the database from best to worst based on an energy score, calculated using a scoring function. The goal is to discover novel ligands that can be progressed from hit to lead candidate as part of a drug-development program, as performed in pharmaceutical industry, biotech, and academia.</ins></div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">vHTS has also been used for target-free ligand discovery, based on the similarity of known actives to compounds in the database. We prefer the term "ligand-based screening" to apply to these methods, which are also known as "similarity searching", "scaffold hopping", "shape tanimoto", "fingerprint methods" among other names.</ins></div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
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JohnIrwin
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4635&oldid=prev
JohnIrwin at 18:25, 21 December 2006
2006-12-21T18:25:17Z
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JohnIrwin
http://wiki.docking.org/index.php?title=Virtual_screening&diff=4634&oldid=prev
JohnIrwin at 18:25, 21 December 2006
2006-12-21T18:25:06Z
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<p><b>New page</b></p><div>'''Virtual Screening''' is [[molecular docking]] in high throughput.<br />
{{Wiktionary}}<br />
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[[Category:Docktionary]]<br />
[[Category:Article to be written]]</div>
JohnIrwin