Structural highlights
Function
[A0A2V2WKZ5_TRYCR] Component of the peroxisomal translocation machinery.[RuleBase:RU367032]
Publication Abstract from PubMed
We develop a residual deep learning model, hotWater (https://pypi.org/project/hotWater/), to identify key water interaction sites on proteins for binding models and drug discovery. This is tested on new crystal structures, as well as cryo-EM and NMR structures from the PDB and in crystallographic refinement with promising results.
Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.,Zaucha J, Softley CA, Sattler M, Frishman D, Popowicz GM Chem Commun (Camb). 2020 Nov 25. doi: 10.1039/d0cc04383d. PMID:33237041[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Zaucha J, Softley CA, Sattler M, Frishman D, Popowicz GM. Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data. Chem Commun (Camb). 2020 Nov 25. doi: 10.1039/d0cc04383d. PMID:33237041 doi:http://dx.doi.org/10.1039/d0cc04383d
