StreaMD: the toolkit for high-throughput molecular dynamics simulations
Abstract Molecular dynamics simulations serve as a prevalent approach for investigating the dynamic behaviour of proteins and protein–ligand complexes. Due to its versatility and speed, GROMACS stands out as a commonly utilized software platform for executing molecular dynamics simulations. However,...
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| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
BMC
2024-11-01
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| Colección: | Journal of Cheminformatics |
| Materias: | |
| Acceso en línea: | https://doi.org/10.1186/s13321-024-00918-w |
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