OFraMP: a fragment-based tool to facilitate the parametrization of large molecules

An Online tool for Fragment-based Molecule Parametrization (OFraMP) is described. OFraMP is a web application for assigning atomic interaction parameters to large molecules by matching sub-fragments within the target molecule to equivalent sub-fragments within the Automated Topology Builder (ATB, at...

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Detalles Bibliográficos
Autores principales: Stroet, Martin, Caron, Bertrand, Engler, Martin S., van der Woning, Jimi, Kauffmann, Aude, van Dijk, Marc, El-Kebir, Mohammed, Visscher, Koen M., Holownia, Josef, Macfarlane, Callum, Bennion, Brian J., Gelpi-Dominguez, Svetlana, Lightstone, Felice C., van der Storm, Tijs, Geerke, Daan P., Mark, Alan E., Klau, Gunnar W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10315351/
https://www.ncbi.nlm.nih.gov/pubmed/37310542
http://dx.doi.org/10.1007/s10822-023-00511-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10315351/
https://www.ncbi.nlm.nih.gov/pubmed/37310542
http://dx.doi.org/10.1007/s10822-023-00511-7

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