SmoothT—a server constructing low-energy pathways from conformational ensembles for interactive visualization and enhanced sampling

MOTIVATION: The SmoothT software and webservice offers the construction of pathways from an ensemble of conformations. The user provides an archive of molecule conformations in Protein Databank (PDB) format, from which a starting and a final conformation need to be selected. The individual PDB files...

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Detalles Bibliográficos
Autores principales: Staritzbichler, René, Ristic, Nikola, Stapke, Tülin, Hildebrand, Peter W
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10121331/
https://www.ncbi.nlm.nih.gov/pubmed/37018142
http://dx.doi.org/10.1093/bioinformatics/btad176

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10121331/
https://www.ncbi.nlm.nih.gov/pubmed/37018142
http://dx.doi.org/10.1093/bioinformatics/btad176

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