Literature DB >> 20378556

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

Nikita D Prakhov1, Alexander L Chernorudskiy, Murat R Gainullin.   

Abstract

SUMMARY: VSDocker is an original program that allows using AutoDock4 for optimized virtual ligand screening on computer clusters or multiprocessor workstations. This tool is the first implementation of parallel high-performance virtual screening of ligands for MS Windows-based computer systems. AVAILABILITY: VSDocker 2.0 is freely available for non-commercial use at http://www.bio.nnov.ru/projects/vsdocker2/ CONTACT: nikita.prakhov@gmail.com SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Mesh：

Substances：

Year:  2010        PMID： 20378556     DOI： 10.1093/bioinformatics/btq149

Source DB:  PubMed          Journal:  Bioinformatics        ISSN： 1367-4803            Impact factor:   6.937


  13 in total

Review 1.  From laptop to benchtop to bedside: structure-based drug design on protein targets.

Authors:  Lu Chen; John K Morrow; Hoang T Tran; Sharangdhar S Phatak; Lei Du-Cuny; Shuxing Zhang
Journal:  Curr Pharm Des       Date:  2012       Impact factor: 3.116

2.  VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.

Authors:  Álvaro Cortés Cabrera; Rubén Gil-Redondo; Almudena Perona; Federico Gago; Antonio Morreale
Journal:  J Comput Aided Mol Des       Date:  2011-08-09       Impact factor: 3.686

3.  ACFIS: a web server for fragment-based drug discovery.

Authors:  Ge-Fei Hao; Wen Jiang; Yuan-Nong Ye; Feng-Xu Wu; Xiao-Lei Zhu; Feng-Biao Guo; Guang-Fu Yang
Journal:  Nucleic Acids Res       Date:  2016-05-05       Impact factor: 16.971

4.  Multilevel Parallelization of AutoDock 4.2.

Authors:  Andrew P Norgan; Paul K Coffman; Jean-Pierre A Kocher; David J Katzmann; Carlos P Sosa
Journal:  J Cheminform       Date:  2011-04-28       Impact factor: 5.514

5.  VSDK: Virtual screening of small molecules using AutoDock Vina on Windows platform.

Authors:  Natsumi Baba; Eiichi Akaho
Journal:  Bioinformation       Date:  2011-08-02

6.  Accessible high-throughput virtual screening molecular docking software for students and educators.

Authors:  Reed B Jacob; Tim Andersen; Owen M McDougal
Journal:  PLoS Comput Biol       Date:  2012-05-31       Impact factor: 4.475

7.  Virtual interactomics of proteins from biochemical standpoint.

Authors:  Jaroslav Kubrycht; Karel Sigler; Pavel Souček
Journal:  Mol Biol Int       Date:  2012-08-08

8.  wFReDoW: a cloud-based web environment to handle molecular docking simulations of a fully flexible receptor model.

Authors:  Renata De Paris; Fábio A Frantz; Osmar Norberto de Souza; Duncan D A Ruiz
Journal:  Biomed Res Int       Date:  2013-04-11       Impact factor: 3.411

9.  istar: a web platform for large-scale protein-ligand docking.

Authors:  Hongjian Li; Kwong-Sak Leung; Pedro J Ballester; Man-Hon Wong
Journal:  PLoS One       Date:  2014-01-24       Impact factor: 3.240

10.  AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4.

Authors:  Mario S Valdés-Tresanco; Mario E Valdés-Tresanco; Pedro A Valiente; Ernesto Moreno
Journal:  Biol Direct       Date:  2020-09-16       Impact factor: 4.540
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.