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Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules
Hydrogen bonding is an interaction of great importance in drug discovery and development as it may significantly affect chemical and biological processes including the interaction of small molecules with other molecules, proteins, and membranes. In particular, hydrogen bonding can impact drug-like p...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10011384/ https://www.ncbi.nlm.nih.gov/pubmed/36914670 http://dx.doi.org/10.1038/s41598-023-30089-x |