MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters

BACKGROUND: Virtual screening of small molecules using molecular docking has become an important tool in drug discovery. However, large scale virtual screening is time demanding and usually requires dedicated computer clusters. There are a number of software tools that perform virtual screening usin...

Descripción completa

Detalles Bibliográficos
Autores principales: Abreu, Rui MV, Froufe, Hugo JC, Queiroz, Maria João RP, Ferreira, Isabel CFR
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2987878/
https://www.ncbi.nlm.nih.gov/pubmed/21029419
http://dx.doi.org/10.1186/1758-2946-2-10

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2987878/
https://www.ncbi.nlm.nih.gov/pubmed/21029419
http://dx.doi.org/10.1186/1758-2946-2-10

Ejemplares similares