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Ligand Binding Pathways and Conformational Transitions of the HIV Protease
It is important to determine the binding pathways and mechanisms of ligand molecules to target proteins to effectively design therapeutic drugs. Molecular dynamics (MD) is a promising computational tool that allows us to simulate protein–drug binding at an atomistic level. However, the gap between t...
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| Publicado no: | Biochemistry |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5915299/ https://ncbi.nlm.nih.gov/pubmed/29394043 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.biochem.7b01248 |
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