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Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2 Type X (sPLA2-X) Inhibitors.
ACS Med Chem Lett. 2018 Jun 23;9(7):594-599. doi: 10.1021/acsmedchemlett.7b00505. eCollection 2018 Jul 12.
ACS Med Chem Lett. 2018.
PMID: 30034585
Free PMC article.
Structure-based virtual screening for low molecular weight chemical starting points for dipeptidyl peptidase IV inhibitors.
Ward RA, Perkins TD, Stafford J.
Ward RA, et al.
J Med Chem. 2005 Nov 3;48(22):6991-6. doi: 10.1021/jm0505866.
J Med Chem. 2005.
PMID: 16250657
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Development of a pharmacophore model for histamine H3 receptor antagonists, using the newly developed molecular modeling program SLATE.
De Esch IJ, Mills JE, Perkins TD, Romeo G, Hoffmann M, Wieland K, Leurs R, Menge WM, Nederkoorn PH, Dean PM, Timmerman H.
De Esch IJ, et al.
J Med Chem. 2001 May 24;44(11):1666-74. doi: 10.1021/jm001109k.
J Med Chem. 2001.
PMID: 11356102
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Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.
Good AC, Cheney DL, Sitkoff DF, Tokarski JS, Stouch TR, Bassolino DA, Krystek SR, Li Y, Mason JS, Perkins TD.
Good AC, et al.
J Mol Graph Model. 2003 Sep;22(1):31-40. doi: 10.1016/S1093-3263(03)00124-4.
J Mol Graph Model. 2003.
PMID: 12798389
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Molecular surface-volume and property matching to superpose flexible dissimilar molecules.
Perkins TD, Mills JE, Dean PM.
Perkins TD, et al.
J Comput Aided Mol Des. 1995 Dec;9(6):479-90. doi: 10.1007/BF00124319.
J Comput Aided Mol Des. 1995.
PMID: 8789190
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SLATE: a method for the superposition of flexible ligands.
Mills JE, de Esch IJ, Perkins TD, Dean PM.
Mills JE, et al.
J Comput Aided Mol Des. 2001 Jan;15(1):81-96. doi: 10.1023/a:1011102129244.
J Comput Aided Mol Des. 2001.
PMID: 11217921
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An exploration of a novel strategy for superposing several flexible molecules.
Perkins TD, Dean PM.
Perkins TD, et al.
J Comput Aided Mol Des. 1993 Apr;7(2):155-72. doi: 10.1007/BF00126442.
J Comput Aided Mol Des. 1993.
PMID: 8320554
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An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.
Mills JE, Perkins TD, Dean PM.
Mills JE, et al.
J Comput Aided Mol Des. 1997 May;11(3):229-42. doi: 10.1023/a:1007900527102.
J Comput Aided Mol Des. 1997.
PMID: 9263850
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