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Items: 1 to 20 of 110

1.

PharmaGist: a webserver for ligand-based pharmacophore detection.

Schneidman-Duhovny D, Dror O, Inbar Y, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W223-8. doi: 10.1093/nar/gkn187. Epub 2008 Apr 19.

2.

Deterministic pharmacophore detection via multiple flexible alignment of drug-like molecules.

Schneidman-Duhovny D, Dror O, Inbar Y, Nussinov R, Wolfson HJ.

J Comput Biol. 2008 Sep;15(7):737-54. doi: 10.1089/cmb.2007.0130.

3.

Novel approach for efficient pharmacophore-based virtual screening: method and applications.

Dror O, Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ.

J Chem Inf Model. 2009 Oct;49(10):2333-43. doi: 10.1021/ci900263d.

4.

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach.

Liu X, Ouyang S, Yu B, Liu Y, Huang K, Gong J, Zheng S, Li Z, Li H, Jiang H.

Nucleic Acids Res. 2010 Jul;38(Web Server issue):W609-14. doi: 10.1093/nar/gkq300. Epub 2010 Apr 29.

5.

Ligand-based pharmacophore detection, screening of potential gliptins and docking studies to get effective antidiabetic agents.

Agrawal R, Jain P, Dikshit SN.

Comb Chem High Throughput Screen. 2012 Dec;15(10):849-76.

PMID:
23140189
6.

MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm.

Chang DT, Oyang YJ, Lin JH.

Nucleic Acids Res. 2005 Jul 1;33(Web Server issue):W233-8.

7.

BioInfo3D: a suite of tools for structural bioinformatics.

Shatsky M, Dror O, Schneidman-Duhovny D, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W503-7.

8.

MultiBind and MAPPIS: webservers for multiple alignment of protein 3D-binding sites and their interactions.

Shulman-Peleg A, Shatsky M, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W260-4. doi: 10.1093/nar/gkn185. Epub 2008 May 8.

9.

ZINCPharmer: pharmacophore search of the ZINC database.

Koes DR, Camacho CJ.

Nucleic Acids Res. 2012 Jul;40(Web Server issue):W409-14. doi: 10.1093/nar/gks378. Epub 2012 May 2.

10.

Common pharmacophore identification using frequent clique detection algorithm.

Podolyan Y, Karypis G.

J Chem Inf Model. 2009 Jan;49(1):13-21. doi: 10.1021/ci8002478.

11.

A self-organizing algorithm for molecular alignment and pharmacophore development.

Bandyopadhyay D, Agrafiotis DK.

J Comput Chem. 2008 Apr 30;29(6):965-82.

PMID:
17999384
12.

Pharmit: interactive exploration of chemical space.

Sunseri J, Koes DR.

Nucleic Acids Res. 2016 Jul 8;44(W1):W442-8. doi: 10.1093/nar/gkw287. Epub 2016 Apr 19.

13.

PatchDock and SymmDock: servers for rigid and symmetric docking.

Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2005 Jul 1;33(Web Server issue):W363-7.

14.

FiberDock: a web server for flexible induced-fit backbone refinement in molecular docking.

Mashiach E, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2010 Jul;38(Web Server issue):W457-61. doi: 10.1093/nar/gkq373. Epub 2010 May 11.

15.

An extensive and diverse set of molecular overlays for the validation of pharmacophore programs.

Giangreco I, Cosgrove DA, Packer MJ.

J Chem Inf Model. 2013 Apr 22;53(4):852-66. doi: 10.1021/ci400020a. Epub 2013 Apr 8.

PMID:
23565904
16.

SiteEngines: recognition and comparison of binding sites and protein-protein interfaces.

Shulman-Peleg A, Nussinov R, Wolfson HJ.

Nucleic Acids Res. 2005 Jul 1;33(Web Server issue):W337-41.

17.

e-LEA3D: a computational-aided drug design web server.

Douguet D.

Nucleic Acids Res. 2010 Jul;38(Web Server issue):W615-21. doi: 10.1093/nar/gkq322. Epub 2010 May 5.

18.

Molecule-pharmacophore superpositioning and pattern matching in computational drug design.

Wolber G, Seidel T, Bendix F, Langer T.

Drug Discov Today. 2008 Jan;13(1-2):23-9. doi: 10.1016/j.drudis.2007.09.007. Epub 2007 Nov 5. Review.

PMID:
18190860
19.

Predicting molecular interactions in silico: I. A guide to pharmacophore identification and its applications to drug design.

Dror O, Shulman-Peleg A, Nussinov R, Wolfson HJ.

Curr Med Chem. 2004 Jan;11(1):71-90. Review.

PMID:
14754427
20.

GALAHAD: 1. pharmacophore identification by hypermolecular alignment of ligands in 3D.

Richmond NJ, Abrams CA, Wolohan PR, Abrahamian E, Willett P, Clark RD.

J Comput Aided Mol Des. 2006 Sep;20(9):567-87. Epub 2006 Oct 19.

PMID:
17051338

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