Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Goncagül Serdaroğlu, Nesimi Uludag, Elvan Üstün
Synthesis, biological evaluation, and molecular modelling of novel quinoxaline-isoxazole hybrid as anti-hyperglycemic
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Lacksany Phongphane, Siti Nurshahira Mohd Radzuan, Mohamad Hafizi Abu Bakar, Mohammad Tasyriq Che Omar, Unang Supratman, Desi Harneti, Habibah A. Wahab, Mohamad Nurul Azmi
Exploring the impact of <em>CYP11A1</em>’s missense SNPs on the interaction between CYP11A1 and cholesterol: A comprehensive structural analysis and MD simulation study
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Salaheddine Redouane, Houda Harmak, Zouhair Elkarhat, Hicham Charoute, Abderrahim Malki, Abdelhamid Barakat, Hassan Rouba
Quantum mechanical approaches and molecular docking studies of metal based anticancer drugs cis-Diammine glycolato platinum and Diaminocyclohexane oxalatoplatinum structures
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Madhavi Sahadevan, Mullainathan Sundaram, Karunagaran Subramanian
Polyphenolic flavonoid compounds act as the inhibitory potential of aggregation process: Implications for the prevention and therapeutics against FALS-associated D101G SOD1 mutant
Publication date: Available online 6 October 2023
Source: Computational Biology and Chemistry
Author(s): Hussein maitham Qassim, Bagher Seyedalipour, Payam Baziyar, Salman Ahamady-Asbchin
Multi-dimensional search for drug-target interaction prediction by preserving the consistency of attention distribution
Publication date: Available online 7 October 2023
Source: Computational Biology and Chemistry
Author(s): Huaihu Li, Shunfang Wang, Weihua Zheng, Li Yu
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