4cec: Difference between revisions
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==Interrogating HIV integrase for compounds that bind- a SAMPL challenge== | ==Interrogating HIV integrase for compounds that bind- a SAMPL challenge== | ||
<StructureSection load='4cec' size='340' side='right' caption='[[4cec]], [[Resolution|resolution]] 1.75Å' scene=''> | <StructureSection load='4cec' size='340' side='right' caption='[[4cec]], [[Resolution|resolution]] 1.75Å' scene=''> | ||
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ce9|4ce9]], [[4cea|4cea]], [[4ceb|4ceb]], [[4ced|4ced]], [[4cee|4cee]], [[4cef|4cef]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ce9|4ce9]], [[4cea|4cea]], [[4ceb|4ceb]], [[4ced|4ced]], [[4cee|4cee]], [[4cef|4cef]]</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA-directed_DNA_polymerase DNA-directed DNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.7 2.7.7.7] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA-directed_DNA_polymerase DNA-directed DNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.7 2.7.7.7] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4cec FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cec OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cec RCSB], [http://www.ebi.ac.uk/pdbsum/4cec PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4cec FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cec OCA], [http://pdbe.org/4cec PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4cec RCSB], [http://www.ebi.ac.uk/pdbsum/4cec PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4cec ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4cec" style="background-color:#fffaf0;"></div> | |||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 17:12, 11 August 2016
Interrogating HIV integrase for compounds that bind- a SAMPL challengeInterrogating HIV integrase for compounds that bind- a SAMPL challenge
Structural highlights
Publication Abstract from PubMedTremendous gains and novel methods are often developed when people are challenged to do something new or difficult. This process is enhanced when people compete against each other-this can be seen in sport as well as in science and technology (e.g. the space race). The SAMPL challenges, like the CASP challenges, aim to challenge modellers and software developers to develop new ways of looking at molecular interactions so the community as a whole can progress in the accurate prediction of these interactions. In order for this challenge to occur, data must be supplied so the prospective test can be done. We have supplied unpublished data related to a drug discovery program run several years ago on HIV integrase for the SAMPL4 challenge. This paper describes the methods used to obtain these data and the chemistry involved. Interrogating HIV integrase for compounds that bind- a SAMPL challenge.,Peat TS, Dolezal O, Newman J, Mobley D, Deadman JJ J Comput Aided Mol Des. 2014 Feb 16. PMID:24532034[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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