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re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling
BACKGROUND: Analysis of preferred binding regions of a ligand on a protein is important for detecting cryptic binding pockets and improving the ligand selectivity. RESULT: The enhanced sampling approach TAMD has been adapted to allow a ligand to unbind from its native binding site and explore the pr...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5883362/ https://www.ncbi.nlm.nih.gov/pubmed/29615024 http://dx.doi.org/10.1186/s12900-018-0083-6 |