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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...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Materias: | |
| 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 |