DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

BACKGROUND: Discovery of new bioactive molecules that could enter drug discovery programs or that could serve as chemical probes is a very complex and costly endeavor. Structure-based and ligand-based in silico screening approaches are nowadays extensively used to complement experimental screening a...

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Detalles Bibliográficos
Autores principales: Lagorce, David, Pencheva, Tania, Villoutreix, Bruno O, Miteva, Maria A
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2009
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781789/
https://www.ncbi.nlm.nih.gov/pubmed/19912625
http://dx.doi.org/10.1186/1472-6769-9-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781789/
https://www.ncbi.nlm.nih.gov/pubmed/19912625
http://dx.doi.org/10.1186/1472-6769-9-6

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