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The ACPYPE web server for small-molecule MD topology generation
MOTIVATION: The generation of parameter files for molecular dynamics (MD) simulations of small molecules that are suitable for force fields commonly applied to proteins and nucleic acids is often challenging. The ACPYPE software and website aid the generation of such parameter files. RESULTS: ACPYPE...
| 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/PMC10264366/ https://www.ncbi.nlm.nih.gov/pubmed/37252824 http://dx.doi.org/10.1093/bioinformatics/btad350 |