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DeepKa Web Server: High-Throughput Protein p K a Prediction.

Authors :
Cai Z
Peng H
Sun S
He J
Luo F
Huang Y
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