Publication date: Available online 7 October 2023
Source: Computational Biology and Chemistry
Author(s): Huaihu Li, Shunfang Wang, Weihua Zheng, Li Yu
Category Archives: Computational Biology and Chemistry
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
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
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
Phytochemical profiling, human insulin stability and alpha glucosidase inhibition of <em>Gymnema latifolium</em> leaves aqueous extract: Exploring through experimental and <em>in silico</em> approach
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Shahanaj Ismail, Tajalli Ilm Chandel, Jaganathan Ramakrishnan, Rizwan Hasan Khan, Kumaradhas Poomani, Natarajan Devarajan
A bioinformatic analysis: Previous allergen exposure may support anti- SARS-CoV-2 immune response
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Isıl Kutluturk Karagöz, Mucahit Kaya, René Rückert, Nazli Bozman, Vildan Kaya, Halim Bayram, Mustafa Yıldırım
HADEG: A curated hydrocarbon aerobic degradation enzymes and genes database
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Jorge Rojas-Vargas, Hugo G. Castelán-Sánchez, Liliana Pardo-López
<em>N</em>-heterocyclic carbene based Bi-nuclear organoselenium compounds impart a mild biocidal potential compared to their ligands: Synthesis, characterization, computational studies
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Ahmad Hassan, Muhammad Adnan Iqbal, Haq Nawaz Bhatti, Muhammad Shahid
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Guilherme Schmitt Rieder, Pablo Andrei Nogara, Folorunsho Bright Omage, Tâmie Duarte, Cristiane Lenz Dalla Corte, João Batista Teixeira da Rocha
Computational analysis of substrate recognition of Sars-Cov-2 Mpro main protease
Publication date: December 2023
Source: Computational Biology and Chemistry, Volume 107
Author(s): Hilal Sena Tasci, Ebru Akkus, Muslum Yildiz, Abdulkadir Kocak