Publication date: Available online 7 October 2023
Source: Computational Biology and Chemistry
Author(s): Huaihu Li, Shunfang Wang, Weihua Zheng, Li Yu
Monthly Archives: October 2023
Protein-DNA interface hotspots prediction based on fusion features of embeddings of protein language model and handcrafted features
Publication date: Available online 10 October 2023
Source: Computational Biology and Chemistry
Author(s): Xiang Li, Gang-Ao Wang, Zhuoyu Wei, Hong Wang, Xiaolei Zhu
ResBiGAAT: Residual Bi-GRU with Attention for Protein-Ligand Binding Affinity Prediction
Publication date: Available online 11 October 2023
Source: Computational Biology and Chemistry
Author(s): Gelany Aly Abdelkader, Soualihou Ngnamsie Njimbouom, Tae-Jin Oh, Jeong-Dong Kim
AffinityVAE: A multi-objective model for protein-ligand affinity prediction and drug design
Publication date: Available online 11 October 2023
Source: Computational Biology and Chemistry
Author(s): Mengying Wang, Weimin Li, Xiao Yu, Yin Luo, Ke Han, Can Wang, Qun Jin
A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Aakansha Gupta, Rahul Katarya
ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Shuyu Wang, Hongzhou Tang, Peng Shan, Zhaoxia Wu, Lei Zuo
Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Ibrahim H. Eissa, Reda G. Yousef, Hazem Elkady, Eslam B. Elkaeed, Aisha A. Alsfouk, Dalal Z. Husein, Ibrahim M. Ibrahim, Mostafa.A. Elhendawy, Murrell Godfrey, Ahmed M. Metwaly
Multilayer precision-based screening of potential inhibitors targeting <em>Mycobacterium tuberculosis</em> acetate kinase using <em>in silico</em> approaches
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Sneha Subramaniyan, Hemavathy Nagarajan, Umashankar Vetrivel, Jeyakanthan Jeyaraman
New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Hazem Elkady, Abdelrahman A. Abuelkhir, Mahmoud Rashed, Mohammed S. Taghour, Mohammed A. Dahab, Hazem A. Mahdy, Alaa Elwan, Hanan A. Al-ghulikah, Eslam B. Elkaeed, Ibrahim M. Ibrahim, Dalal Z. Husein, Ahmed Metwaly, Ibrahim H. Eissa
Quantum gate algorithm for reference-guided DNA sequence alignment
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): G.D. Varsamis, I.G. Karafyllidis, K.M. Gilkes, U. Arranz, R. Martin-Cuevas, G. Calleja, P. Dimitrakis, P. Kolovos, R. Sandaltzopoulos, H.C. Jessen, J. Wong