Back to Search
Start Over
DeepKa Web Server: High-Throughput Protein p K a Prediction.
- Source :
-
Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 22; Vol. 64 (8), pp. 2933-2940. Date of Electronic Publication: 2024 Mar 26. - Publication Year :
- 2024
-
Abstract
- DeepKa is a deep-learning-based protein p K <subscript>a</subscript> predictor proposed in our previous work. In this study, a web server was developed that enables online protein p K <subscript>a</subscript> prediction driven by DeepKa. The web server provides a user-friendly interface where a single step of entering a valid PDB code or uploading a PDB format file is required to submit a job. Two case studies have been attached in order to explain how p K <subscript>a</subscript> 's calculated by the web server could be utilized by users. Finally, combining the web server with post processing as described in case studies, this work suggests a quick workflow of investigating the relationship between protein structure and function that are pH dependent. The web server of DeepKa is freely available at http://www.computbiophys.com/DeepKa/main.
Details
- Language :
- English
- ISSN :
- 1549-960X
- Volume :
- 64
- Issue :
- 8
- Database :
- MEDLINE
- Journal :
- Journal of chemical information and modeling
- Publication Type :
- Academic Journal
- Accession number :
- 38530291
- Full Text :
- https://doi.org/10.1021/acs.jcim.3c02013