Computational Biology and Chemistry This is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks
Comput Biol Chem. 2023 Aug 26;107:107952. doi: 10.1016/j.compbiolchem.2023.107952. Online ahead of print.ABSTRACTPredicting protein stability change upon variation through a computational approach is a valuable tool to unveil the mechanisms of mutation-induced drug failure and develop immunotherapy strategies. Some previous machine learning-based techniques exhibit anti-symmetric bias toward destabilizing situations, whereas others struggle with generalization to unseen examples. To address these issues, we propose a gated graph neural network-based approach to predict changes in protein stability upon mutation. The model ...
Source: Computational Biology and Chemistry - August 29, 2023 Category: Bioinformatics Authors: Shuyu Wang Hongzhou Tang Peng Shan Zhaoxia Wu Lei Zuo Source Type: research

ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks
Comput Biol Chem. 2023 Aug 26;107:107952. doi: 10.1016/j.compbiolchem.2023.107952. Online ahead of print.ABSTRACTPredicting protein stability change upon variation through a computational approach is a valuable tool to unveil the mechanisms of mutation-induced drug failure and develop immunotherapy strategies. Some previous machine learning-based techniques exhibit anti-symmetric bias toward destabilizing situations, whereas others struggle with generalization to unseen examples. To address these issues, we propose a gated graph neural network-based approach to predict changes in protein stability upon mutation. The model ...
Source: Computational Biology and Chemistry - August 29, 2023 Category: Bioinformatics Authors: Shuyu Wang Hongzhou Tang Peng Shan Zhaoxia Wu Lei Zuo Source Type: research

ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks
Comput Biol Chem. 2023 Aug 26;107:107952. doi: 10.1016/j.compbiolchem.2023.107952. Online ahead of print.ABSTRACTPredicting protein stability change upon variation through a computational approach is a valuable tool to unveil the mechanisms of mutation-induced drug failure and develop immunotherapy strategies. Some previous machine learning-based techniques exhibit anti-symmetric bias toward destabilizing situations, whereas others struggle with generalization to unseen examples. To address these issues, we propose a gated graph neural network-based approach to predict changes in protein stability upon mutation. The model ...
Source: Computational Biology and Chemistry - August 29, 2023 Category: Bioinformatics Authors: Shuyu Wang Hongzhou Tang Peng Shan Zhaoxia Wu Lei Zuo Source Type: research

ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks
Comput Biol Chem. 2023 Aug 26;107:107952. doi: 10.1016/j.compbiolchem.2023.107952. Online ahead of print.ABSTRACTPredicting protein stability change upon variation through a computational approach is a valuable tool to unveil the mechanisms of mutation-induced drug failure and develop immunotherapy strategies. Some previous machine learning-based techniques exhibit anti-symmetric bias toward destabilizing situations, whereas others struggle with generalization to unseen examples. To address these issues, we propose a gated graph neural network-based approach to predict changes in protein stability upon mutation. The model ...
Source: Computational Biology and Chemistry - August 29, 2023 Category: Bioinformatics Authors: Shuyu Wang Hongzhou Tang Peng Shan Zhaoxia Wu Lei Zuo Source Type: research

A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures
This article proposes an artificial intelligence(AI) based intelligent prediction model called Deep-SIQRV(Susceptible-Infected-Quarantined-Recovered-Vaccinated) to simulate the spreading of COVID-19. While many models assume that vaccination provides lifetime protection, we focus on the impact of waning immunity caused by the conversion of vaccinated individuals back to susceptible ones. Unlike existing models, which assume that all coronavirus-infected individuals have the same infection rate, the proposed model considers the various infection rates to analyze transmission laws and trends. Next, we consider the influence ...
Source: Computational Biology and Chemistry - August 25, 2023 Category: Bioinformatics Authors: Aakansha Gupta Rahul Katarya Source Type: research