Protein–ligand binding with the coarse-grained Martini model
Computer-aided design of protein-ligand binding is important for the development of novel drugs. Here authors present an approach to use the recently re-parametrized coarse-grained Martini model to perform unbiased millisecond sampling of protein-ligand binding interactions of small drug-like molecu...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2020-07-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-17437-5 |