Artificial Intelligence | Computational Biology | Toxicology Research trends of computational toxicology: a bibliometric analysis. September 23, 2024
Bioinformatics | Chemistry | Pharmacology Phytochemicals in Drug Discovery-A Confluence of Tradition and Innovation. August 29, 2024
Infectious Diseases | Pulmonology Tuberculosis research advances and future trends: A bibliometric knowledge mapping approach. July 26, 2024
Oncology | Pharmacology Discovery of Potent Selective HDAC6 Inhibitors with 5-Phenyl-1-indole Fragment: Virtual Screening, Rational Design, and Biological Evaluation. July 23, 2024
Pharmacology | Traditional Chinese Medicine | Transcriptomics Construction of a multi-tissue compound-target interaction network of Qingfei Paidu decoction in COVID-19 treatment based on deep learning and transcriptomic analysis. July 22, 2024
Metabolic Disorders | Pharmacology Discovering novel Cathepsin L inhibitors from natural products using artificial intelligence. July 15, 2024
Computational Chemistry | Pharmaceutical Sciences Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for drug design and computational chemistry approaches. June 24, 2024
Biotechnology | Food Science | Nutrition Enhancing plant-based cheese formulation through molecular docking and dynamic simulation of tocopherol and retinol complexes with zein, soy and almond proteins via SVM-machine learning integration. May 9, 2024
Biochemistry | Molecular Biology | Nutrition Study on the saltiness-enhancing mechanism of chicken-derived umami peptides by sensory evaluation and molecular docking to transmembrane channel-like protein 4 (TMC4). March 22, 2024
Oncology | Pharmacology Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing. January 19, 2024
Biochemistry | Pharmacology Using deep learning and molecular dynamics simulations to unravel the regulation mechanism of peptides as noncompetitive inhibitor of xanthine oxidase. January 3, 2024
Drug Discovery | Immunology | Oncology Molecular determinants of antagonist interactions with chemokine receptors CCR2 and CCR5. November 28, 2023