Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes
Trypsin is a serine protease. Here the authors present the high resolution X-ray and neutron diffraction structures of uncomplexed and inhibitor bound trypsin that provide insights into the geometry of H-bonds in the active site of the enzyme and molecular dynamics simulations reveal the kinetics of...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2018-09-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-018-05769-2 |