Cargando…
PySFD: comprehensive molecular insights from significant feature differences detected among many simulated ensembles
MOTIVATION: Many modeling analyses of molecular dynamics (MD) simulations are based on a definition of states that can be (groups of) clusters of simulation frames in a feature space composed of molecular coordinates. With increasing dimension of this feature space (due to the increasing size or com...
Autor principal: | Stolzenberg, Sebastian |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6499238/ https://www.ncbi.nlm.nih.gov/pubmed/30247628 http://dx.doi.org/10.1093/bioinformatics/bty818 |
Ejemplares similares
-
RING-PyMOL: residue interaction networks of structural ensembles and molecular dynamics
por: Del Conte, Alessio, et al.
Publicado: (2023) -
pyFoldX: enabling biomolecular analysis and engineering along structural ensembles
por: Radusky, Leandro G, et al.
Publicado: (2022) -
PyPCN: protein contact networks in PyMOL
por: Rosignoli, Serena, et al.
Publicado: (2023) -
Update in the SFD detector response simulation
por: Benelli , A, et al.
Publicado: (2016) -
NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID
por: Gaudreault, Francis, et al.
Publicado: (2015)