Cargando…
QSPR designer – employ your own descriptors in the automated QSAR modeling process
Autores principales: | Skřehota, Ondřej, Vařeková, Radka Svobodová, Geidl, Stanislav, Kudera, Michal, Sehnal, David, Ionescu, Crina-Maria, Žídek, Jan, Koča, Jaroslav |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341281/ http://dx.doi.org/10.1186/1758-2946-4-S1-P37 |
Ejemplares similares
-
QSPR designer – a program to design and evaluate QSPR models. Case study on pK(a) prediction
por: Skřehota, O, et al.
Publicado: (2011) -
How the methodology of 3D structure preparation influences the quality of QSPR models?
por: Geidl, Stanislav, et al.
Publicado: (2012) -
Predicting pK(a) values from EEM atomic charges
por: Vařeková, Radka Svobodová, et al.
Publicado: (2013) -
QM quality atomic charges for proteins
por: Geidl, Stanislav, et al.
Publicado: (2014) -
SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs
por: Sehnal, David, et al.
Publicado: (2012)