Absolute Binding Free Energy Calculations for Highly Flexible Protein MDM2 and Its Inhibitors
Reliable prediction of binding affinities for ligand-receptor complex has been the primary goal of a structure-based drug design process. In this respect,<b> </b>alchemical methods are evolving as a popular choice to predict the binding affinities for biomolecular complexes. However, the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-07-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-0067/21/13/4765 |