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Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT
A public web server performing computational titration at the active site in a protein-ligand complex has been implemented. This calculation is based on the Hydropathic INTeraction (HINT) noncovalent force field. From 3D coordinate data for the protein, ligand and bridging waters (if available), the...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2730983/ https://ncbi.nlm.nih.gov/pubmed/19554265 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-009-9270-7 |
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