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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
---|---|
2011 | 1 |
2012 | 1 |
2013 | 2 |
2014 | 2 |
2024 | 0 |
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6 results
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ZINC: a free tool to discover chemistry for biology.
J Chem Inf Model. 2012 Jul 23;52(7):1757-68. doi: 10.1021/ci3001277. Epub 2012 Jun 15.
J Chem Inf Model. 2012.
PMID: 22587354
Free PMC article.
Ligand pose and orientational sampling in molecular docking.
Coleman RG, Carchia M, Sterling T, Irwin JJ, Shoichet BK.
Coleman RG, et al.
PLoS One. 2013 Oct 1;8(10):e75992. doi: 10.1371/journal.pone.0075992. eCollection 2013.
PLoS One. 2013.
PMID: 24098414
Free PMC article.
Item in Clipboard
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
Coleman RG, Sterling T, Weiss DR.
Coleman RG, et al.
J Comput Aided Mol Des. 2014 Mar;28(3):201-9. doi: 10.1007/s10822-014-9722-6. Epub 2014 Feb 11.
J Comput Aided Mol Des. 2014.
PMID: 24515818
Free PMC article.
Item in Clipboard
Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Fischer M, Coleman RG, Fraser JS, Shoichet BK.
Fischer M, et al.
Nat Chem. 2014 Jul;6(7):575-83. doi: 10.1038/nchem.1954. Epub 2014 May 25.
Nat Chem. 2014.
PMID: 24950326
Free PMC article.
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Ligand discovery from a dopamine D3 receptor homology model and crystal structure.
Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK.
Carlsson J, et al.
Nat Chem Biol. 2011 Sep 18;7(11):769-78. doi: 10.1038/nchembio.662.
Nat Chem Biol. 2011.
PMID: 21926995
Free PMC article.
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Chemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4).
Cameron RT, Coleman RG, Day JP, Yalla KC, Houslay MD, Adams DR, Shoichet BK, Baillie GS.
Cameron RT, et al.
Biochem Pharmacol. 2013 May 1;85(9):1297-305. doi: 10.1016/j.bcp.2013.02.026. Epub 2013 Mar 5.
Biochem Pharmacol. 2013.
PMID: 23473803
Free PMC article.
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