Warning: The NCBI web site requires JavaScript to function. more...
Generate a file for use with external citation management software.
PocketPicker: analysis of ligand binding-sites with shape descriptors.
Weisel M, Proschak E, Schneider G.
Chem Cent J. 2007 Mar 13;1:7.
Related citations
Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design.
Liang J, Edelsbrunner H, Woodward C.
Protein Sci. 1998 Sep;7(9):1884-97.
Form follows function: shape analysis of protein cavities for receptor-based drug design.
Weisel M, Proschak E, Kriegl JM, Schneider G.
Proteomics. 2009 Jan;9(2):451-9.
LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation.
Huang B, Schroeder M.
BMC Struct Biol. 2006 Sep 24;6:19.
A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites.
Xie L, Bourne PE.
BMC Bioinformatics. 2007 May 22;8 Suppl 4:S9.
Simple knowledge-based descriptors to predict protein-ligand interactions. methodology and validation.
Nissink JWM, Verdonk ML, Klebe G.
J Comput Aided Mol Des. 2000 Nov;14(8):787-803.
A new protein-ligand binding sites prediction method based on the integration of protein sequence conservation information.
Dai T, Liu Q, Gao J, Cao Z, Zhu R.
BMC Bioinformatics. 2011 Dec 14;12 Suppl 14:S9. [Epub ahead of print]
LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins.
Hendlich M, Rippmann F, Barnickel G.
J Mol Graph Model. 1997 Dec;15(6):359-63, 389.
A method for localizing ligand binding pockets in protein structures.
Glaser F, Morris RJ, Najmanovich RJ, Laskowski RA, Thornton JM.
Proteins. 2006 Feb 1;62(2):479-88.
Binding response: a descriptor for selecting ligand binding site on protein surfaces.
Zhong S, MacKerell AD Jr.
J Chem Inf Model. 2007 Nov-Dec;47(6):2303-15. Epub 2007 Sep 27.
Fast prediction and visualization of protein binding pockets with PASS.
Brady GP Jr, Stouten PF.
J Comput Aided Mol Des. 2000 May;14(4):383-401.
Methods for the prediction of protein-ligand binding sites for structure-based drug design and virtual ligand screening.
Laurie AT, Jackson RM.
Curr Protein Pept Sci. 2006 Oct;7(5):395-406. Review.
MetaPocket: a meta approach to improve protein ligand binding site prediction.
Huang B.
OMICS. 2009 Aug;13(4):325-30.
Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.
Morris RJ, Najmanovich RJ, Kahraman A, Thornton JM.
Bioinformatics. 2005 May 15;21(10):2347-55. Epub 2005 Feb 22.
Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design.
Zauhar RJ, Moyna G, Tian L, Li Z, Welsh WJ.
J Med Chem. 2003 Dec 18;46(26):5674-90.
Fpocket: an open source platform for ligand pocket detection.
Le Guilloux V, Schmidtke P, Tuffery P.
BMC Bioinformatics. 2009 Jun 2;10:168.
Three dimensional shape comparison of flexible proteins using the local-diameter descriptor.
Fang Y, Liu YS, Ramani K.
BMC Struct Biol. 2009 May 12;9:29.
Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets.
Ashford P, Moss DS, Alex A, Yeap SK, Povia A, Nobeli I, Williams MA.
BMC Bioinformatics. 2012 Mar 14;13(1):39. [Epub ahead of print]
Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.
Bioinformatics. 2005 May 1;21(9):1908-16. Epub 2005 Feb 8.
Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design.
Sotriffer C, Klebe G.
Farmaco. 2002 Mar;57(3):243-51. Review.
Filters: Manage Filters
Your browsing activity is empty.
Activity recording is turned off.
Turn recording back on