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Improving Small-Molecule Force Field Parameters in Ligand Binding Studies

Small molecules are major players of many chemical processes in diverse fields, from material science to biology. They are made by a combination of carbon and heteroatoms typically organized in system-specific structures of different complexity. This peculiarity hampers the application of standard f...

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Detalles Bibliográficos
Autores principales: Raniolo, Stefano, Limongelli, Vittorio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8711133/
https://www.ncbi.nlm.nih.gov/pubmed/34966779
http://dx.doi.org/10.3389/fmolb.2021.760283