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Assessing the similarity of ligand binding conformations with the Contact Mode Score
Structural and computational biologists often need to measure the similarity of ligand binding conformations. The commonly used root-mean-square deviation (RMSD) is not only ligand-size dependent, but also may fail to capture biologically meaningful binding features. To address these issues, we deve...
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| Pubblicato in: | Comput Biol Chem |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2016
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5159245/ https://ncbi.nlm.nih.gov/pubmed/27620381 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.compbiolchem.2016.08.007 |
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