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Fragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations
In this work, the information contained in the contacts between fragments of small-molecule ligands and protein residues has been collected and its exploitability has been verified by using the scoring of docking simulations as a test case for bringing about a proof of concept. Contact statistics be...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6567162/ https://www.ncbi.nlm.nih.gov/pubmed/31117183 http://dx.doi.org/10.3390/ijms20102499 |