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Identify drug repurposing candidates by mining the protein data bank.
Brief Bioinform. 2011 Jul;12(4):336-40. doi: 10.1093/bib/bbr017. Epub 2011 Apr 21.
Brief Bioinform. 2011.
PMID: 21768131
A review of MED-SuMo applications.
Doppelt-Azeroual O, Moriaud F, Adcock SA, Delfaud F.
Doppelt-Azeroual O, et al. Among authors: adcock sa.
Infect Disord Drug Targets. 2009 Jun;9(3):344-57. doi: 10.2174/1871526510909030344.
Infect Disord Drug Targets. 2009.
PMID: 19519487
Review.
Item in Clipboard
Computational fragment-based approach at PDB scale by protein local similarity.
Moriaud F, Doppelt-Azeroual O, Martin L, Oguievetskaia K, Koch K, Vorotyntsev A, Adcock SA, Delfaud F.
Moriaud F, et al. Among authors: adcock sa.
J Chem Inf Model. 2009 Feb;49(2):280-94. doi: 10.1021/ci8003094.
J Chem Inf Model. 2009.
PMID: 19434830
Item in Clipboard
Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site.
Oguievetskaia K, Martin-Chanas L, Vorotyntsev A, Doppelt-Azeroual O, Brotel X, Adcock SA, de Brevern AG, Delfaud F, Moriaud F.
Oguievetskaia K, et al. Among authors: adcock sa.
J Comput Aided Mol Des. 2009 Aug;23(8):571-82. doi: 10.1007/s10822-009-9286-z. Epub 2009 Jun 17.
J Comput Aided Mol Des. 2009.
PMID: 19533373
Free article.
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Molecular dynamics: survey of methods for simulating the activity of proteins.
Adcock SA, McCammon JA.
Adcock SA, et al.
Chem Rev. 2006 May;106(5):1589-615. doi: 10.1021/cr040426m.
Chem Rev. 2006.
PMID: 16683746
Free PMC article.
Review.
No abstract available.
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Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field.
Swanson JM, Adcock SA, McCammon JA.
Swanson JM, et al. Among authors: adcock sa.
J Chem Theory Comput. 2005 May;1(3):484-93. doi: 10.1021/ct049834o.
J Chem Theory Comput. 2005.
PMID: 26641515
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Peptide backbone reconstruction using dead-end elimination and a knowledge-based forcefield.
Adcock SA.
Adcock SA.
J Comput Chem. 2004 Jan 15;25(1):16-27. doi: 10.1002/jcc.10314.
J Comput Chem. 2004.
PMID: 14634990
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