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Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations
[Image: see text] The residence time (RT), the time for which a drug remains bound to its biological target, is a critical parameter for drug design. The prediction of this key kinetic property has been proven to be challenging and computationally demanding in the framework of atomistic simulations....
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10170513/ https://www.ncbi.nlm.nih.gov/pubmed/37053454 http://dx.doi.org/10.1021/acs.jcim.3c00042 |