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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2023
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| Materias: | |
| 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 |