Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 21

1.

PubChem3D: Diversity of shape.

Bolton EE, Kim S, Bryant SH.

J Cheminform. 2011 Mar 21;3:9. doi: 10.1186/1758-2946-3-9.

2.

PubChem3D: Conformer generation.

Bolton EE, Kim S, Bryant SH.

J Cheminform. 2011 Jan 27;3(1):4. doi: 10.1186/1758-2946-3-4.

3.

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs.

Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.

Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. doi: 10.1093/nar/gkq1126. Epub 2010 Nov 8.

4.

Molecular shape and medicinal chemistry: a perspective.

Nicholls A, McGaughey GB, Sheridan RP, Good AC, Warren G, Mathieu M, Muchmore SW, Brown SP, Grant JA, Haigh JA, Nevins N, Jain AN, Kelley B.

J Med Chem. 2010 May 27;53(10):3862-86. doi: 10.1021/jm900818s.

5.

An overview of the PubChem BioAssay resource.

Wang Y, Bolton E, Dracheva S, Karapetyan K, Shoemaker BA, Suzek TO, Wang J, Xiao J, Zhang J, Bryant SH.

Nucleic Acids Res. 2010 Jan;38(Database issue):D255-66. doi: 10.1093/nar/gkp965. Epub 2009 Nov 19.

6.

Database resources of the National Center for Biotechnology Information.

Sayers EW, Barrett T, Benson DA, Bolton E, Bryant SH, Canese K, Chetvernin V, Church DM, Dicuccio M, Federhen S, Feolo M, Geer LY, Helmberg W, Kapustin Y, Landsman D, Lipman DJ, Lu Z, Madden TL, Madej T, Maglott DR, Marchler-Bauer A, Miller V, Mizrachi I, Ostell J, Panchenko A, Pruitt KD, Schuler GD, Sequeira E, Sherry ST, Shumway M, Sirotkin K, Slotta D, Souvorov A, Starchenko G, Tatusova TA, Wagner L, Wang Y, John Wilbur W, Yaschenko E, Ye J.

Nucleic Acids Res. 2010 Jan;38(Database issue):D5-16. doi: 10.1093/nar/gkp967. Epub 2009 Nov 12.

7.

PubChem: a public information system for analyzing bioactivities of small molecules.

Wang Y, Xiao J, Suzek TO, Zhang J, Wang J, Bryant SH.

Nucleic Acids Res. 2009 Jul;37(Web Server issue):W623-33. doi: 10.1093/nar/gkp456. Epub 2009 Jun 4.

8.

PAPER--accelerating parallel evaluations of ROCS.

Haque IS, Pande VS.

J Comput Chem. 2010 Jan 15;31(1):117-32. doi: 10.1002/jcc.21307.

PMID:
19421991
9.

Application of belief theory to similarity data fusion for use in analog searching and lead hopping.

Muchmore SW, Debe DA, Metz JT, Brown SP, Martin YC, Hajduk PJ.

J Chem Inf Model. 2008 May;48(5):941-8. doi: 10.1021/ci7004498. Epub 2008 Apr 17.

PMID:
18416545
10.

Fast 3D shape screening of large chemical databases through alignment-recycling.

Fontaine F, Bolton E, Borodina Y, Bryant SH.

Chem Cent J. 2007 Jun 6;1:12.

11.

MMDB: annotating protein sequences with Entrez's 3D-structure database.

Wang Y, Addess KJ, Chen J, Geer LY, He J, He S, Lu S, Madej T, Marchler-Bauer A, Thiessen PA, Zhang N, Bryant SH.

Nucleic Acids Res. 2007 Jan;35(Database issue):D298-300. Epub 2006 Nov 29.

12.

Small molecule shape-fingerprints.

Haigh JA, Pickup BT, Grant JA, Nicholls A.

J Chem Inf Model. 2005 May-Jun;45(3):673-84.

PMID:
15921457
13.

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction.

Rush TS 3rd, Grant JA, Mosyak L, Nicholls A.

J Med Chem. 2005 Mar 10;48(5):1489-95.

PMID:
15743191
14.

Analysis and display of the size dependence of chemical similarity coefficients.

Holliday JD, Salim N, Whittle M, Willett P.

J Chem Inf Comput Sci. 2003 May-Jun;43(3):819-28.

PMID:
12767139
15.
16.

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings.

Holliday JD, Hu CY, Willett P.

Comb Chem High Throughput Screen. 2002 Mar;5(2):155-66.

PMID:
11966424
17.

Three-dimensional hydrogen-bond geometry and probability information from a crystal survey.

Mills JE, Dean PM.

J Comput Aided Mol Des. 1996 Dec;10(6):607-22.

PMID:
9007693
18.

Zomepirac (Zomax, McNeil Pharmaceutical).

McLeod DC.

Drug Intell Clin Pharm. 1981 Jul-Aug;15(7-8):522-30. Review.

PMID:
7018870
19.

Pharmacologic properties of fenbufen.

Kerwar SS.

Am J Med. 1983 Oct 31;75(4B):62-9. Review.

PMID:
6356910
20.

Inhibition of prostaglandin activity and synthesis by fenbufen (a new nonsteroidal antiinflammatory agent) and one of its metabolites.

Tolman EL, Birnbaum JE, Chiccarelli FS, Panagides J, Sloboda AE.

Adv Prostaglandin Thromboxane Res. 1976;1:133-8. No abstract available.

PMID:
826139

Supplemental Content

Support Center