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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2021
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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 |