PubMed

Dockres: a computer program that analyzes the output of virtual screening of small molecules.

Mezei M, Zhou MM.

Source Code Biol Med. 2010 Jan 14;5:2.PMID: 20205801 [PubMed - in process]Free PMC ArticleFree textRelated citations

DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0.

Jiang X, Kumar K, Hu X, Wallqvist A, Reifman J.

Chem Cent J. 2008 Sep 8;2:18.PMID: 18778471 [PubMed]Free PMC ArticleFree textRelated citations

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.

Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA.

BMC Bioinformatics. 2008 Oct 16;9:438.PMID: 18925937 [PubMed - indexed for MEDLINE]Free PMC ArticleFree textRelated citations

Critical assessment of the automated AutoDock as a new docking tool for virtual screening.

Park H, Lee J, Lee S.

Proteins. 2006 Nov 15;65(3):549-54.PMID: 16988956 [PubMed - indexed for MEDLINE]Related citations

DOVIS: an implementation for high-throughput virtual screening using AutoDock.

Zhang S, Kumar K, Jiang X, Wallqvist A, Reifman J.

BMC Bioinformatics. 2008 Feb 27;9:126.PMID: 18304355 [PubMed - indexed for MEDLINE]Free PMC ArticleFree textRelated citations

A utility script for automating and integrating AutoDock and other associated programs for virtual screening.

Sharma V, Pattanaik KK, Jayprakash V, Basu A, Mishra N.

Bioinformation. 2009 Sep 6;4(2):84-6.PMID: 20198176 [PubMed]Free PMC ArticleFree textRelated citations

Design of new plasmepsin inhibitors: a virtual high throughput screening approach on the EGEE grid.

Kasam V, Zimmermann M, Maass A, Schwichtenberg H, Wolf A, Jacq N, Breton V, Hofmann-Apitius M.

J Chem Inf Model. 2007 Sep-Oct;47(5):1818-28. Epub 2007 Aug 30.PMID: 17727268 [PubMed - indexed for MEDLINE]Related citations

TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time.

Schellhammer I, Rarey M.

J Comput Aided Mol Des. 2007 May;21(5):223-38. Epub 2007 Feb 9.PMID: 17294247 [PubMed - indexed for MEDLINE]Related citations

VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters.

Prakhov ND, Chernorudskiy AL, Gainullin MR.

Bioinformatics. 2010 May 15;26(10):1374-5. Epub 2010 Apr 8.PMID: 20378556 [PubMed - in process]Related citations

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.

Lagorce D, Pencheva T, Villoutreix BO, Miteva MA.

BMC Chem Biol. 2009 Nov 13;9:6.PMID: 19912625 [PubMed]Free PMC ArticleFree textRelated citations

Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

Ma XH, Jia J, Zhu F, Xue Y, Li ZR, Chen YZ.

Comb Chem High Throughput Screen. 2009 May;12(4):344-57. Review.PMID: 19442064 [PubMed - indexed for MEDLINE]Related citations

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.

Steindl TM, Schuster D, Wolber G, Laggner C, Langer T.

J Comput Aided Mol Des. 2006 Dec;20(12):703-15. Epub 2006 Sep 29.PMID: 17009092 [PubMed - indexed for MEDLINE]Related citations

Enhanced virtual screening by combined use of two docking methods: getting the most on a limited budget.

Maiorov V, Sheridan RP.

J Chem Inf Model. 2005 Jul-Aug;45(4):1017-23.PMID: 16045296 [PubMed - indexed for MEDLINE]Related citations

A robust framework for rapid deployment of a virtual screening laboratory.

Shahid M, Hofmann-Apitius M, Wäldrich O, Ziegler W.

Stud Health Technol Inform. 2009;147:212-21.PMID: 19593059 [PubMed - indexed for MEDLINE]Related citations

Evaluations of molecular docking programs for virtual screening.

Onodera K, Satou K, Hirota H.

J Chem Inf Model. 2007 Jul-Aug;47(4):1609-18. Epub 2007 Jun 28.PMID: 17602548 [PubMed - indexed for MEDLINE]Related citations

Parallel screening: a novel concept in pharmacophore modeling and virtual screening.

Steindl TM, Schuster D, Laggner C, Langer T.

J Chem Inf Model. 2006 Sep-Oct;46(5):2146-57.PMID: 16995745 [PubMed - indexed for MEDLINE]Related citations

[Chemoinformatics and virtual screening of molecules for therapeutic use]

Vayer P, Arrault A, Lesur B, Bertrand M, Walther B.

Med Sci (Paris). 2009 Oct;25(10):871-7. French. PMID: 19849994 [PubMed - indexed for MEDLINE]Related citations

Virtual screening: are we there yet?

Jalaie M, Shanmugasundaram V.

Mini Rev Med Chem. 2006 Oct;6(10):1159-67. Review.PMID: 17073716 [PubMed - indexed for MEDLINE]Related citations

Recursive median partitioning for virtual screening of large databases.

Godden JW, Furr JR, Bajorath J.

J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):182-8.PMID: 12546552 [PubMed - indexed for MEDLINE]Related citations

DockFlow - a prototypic PharmaGrid for virtual screening integrating four different docking tools.

Wolf A, Hofmann-Apitius M, Ghanem M, Azam N, Kalaitzopoulos D, Yu K, Kasam V.

Stud Health Technol Inform. 2009;147:3-12.PMID: 19593039 [PubMed - indexed for MEDLINE]Related citations