DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis

MOTIVATION: The ligand/protein binding interaction is typically investigated by docking and molecular dynamics (MD) simulations. In particular, docking-based virtual screening (VS) is used to select the best ligands from database of thousands of compounds, while MD calculations assess the energy sta...

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Detalles Bibliográficos
Autores principales: Aureli, Simone, Di Marino, Daniele, Raniolo, Stefano, Limongelli, Vittorio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9887484/
https://www.ncbi.nlm.nih.gov/pubmed/31304963
http://dx.doi.org/10.1093/bioinformatics/btz543

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9887484/
https://www.ncbi.nlm.nih.gov/pubmed/31304963
http://dx.doi.org/10.1093/bioinformatics/btz543

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