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...

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Detalles Bibliográficos
Autores principales: Kagami, Luciano, Wilter, Alan, Diaz, Adrian, Vranken, Wim
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/PMC10264366/
https://www.ncbi.nlm.nih.gov/pubmed/37252824
http://dx.doi.org/10.1093/bioinformatics/btad350

Internet

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

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