Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo
Conserved water molecules are of interest in drug design, as displacement of such waters can lead to higher affinity ligands, and in some cases, contribute towards selectivity. Bromodomains, small protein domains involved in the epigenetic regulation of gene transcription, display a network of four...
| Main Authors: | , , , , , |
|---|---|
| Format: | Journal article |
| Published: |
Springer Nature
2018
|