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LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
The accurate calculation of protein/nucleic acid–ligand interactions or condensed phase properties by force field-based methods require a precise description of the energetics of intermolecular interactions. Despite the progress made in force fields, small molecule parameterization remains an open p...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793816/ https://www.ncbi.nlm.nih.gov/pubmed/28444340 http://dx.doi.org/10.1093/nar/gkx312 |