Cargando…
Ligand-based virtual screening interface between PyMOL and LiSiCA
Ligand-based virtual screening of large small-molecule databases is an important step in the early stages of drug development. It is based on the similarity principle and is used to reduce the chemical space of large databases to a manageable size where chosen ligands can be experimentally tested. L...
Autores principales: | Dilip, Athira, Lešnik, Samo, Štular, Tanja, Janežič, Dušanka, Konc, Janez |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013575/ https://www.ncbi.nlm.nih.gov/pubmed/27606012 http://dx.doi.org/10.1186/s13321-016-0157-z |
Ejemplares similares
-
BoBER: web interface to the base of bioisosterically exchangeable replacements
por: Lešnik, Samo, et al.
Publicado: (2017) -
PyDeT, a PyMOL plug-in for visualizing geometric concepts around proteins
por: Ordog, Rafael
Publicado: (2008) -
KVFinder: steered identification of protein cavities as a PyMOL plugin
por: Oliveira, Saulo HP, et al.
Publicado: (2014) -
PyTMs: a useful PyMOL plugin for modeling common post-translational modifications
por: Warnecke, Andreas, et al.
Publicado: (2014) -
PyPCN: protein contact networks in PyMOL
por: Rosignoli, Serena, et al.
Publicado: (2023)