What Features of Ligands Are Relevant to the Opening of Cryptic Pockets in Drug Targets?
Small-molecule drug design aims to identify inhibitors that can specifically bind to a functionally important region on the target, i.e., an active site of an enzyme. Identification of potential binding pockets is typically based on static three-dimensional structures. However, small molecules may i...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-01-01
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| Series: | Informatics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2227-9709/9/1/8 |