Gastroenterology | Pharmacoinformatics | Traditional Chinese Medicine Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis. July 21, 2023
Bioinformatics | Drug Discovery | Microbiology New drug target identification in by subtractive genome analysis and their inhibitors through molecular docking and molecular dynamics simulations. July 14, 2023
Biochemistry | Neurology | Nutrition Multi-dimensional deep learning drives efficient discovery of novel neuroprotective peptides from walnut protein isolates. July 12, 2023
Immunology | Metabolic Receptors | Neuropharmacology Target Discovery Using Deep Learning-Based Molecular Docking and Predicted Protein Structures With AlphaFold for Novel Antipsychotics. May 30, 2023
Medicinal Chemistry | Pharmaceutical Sciences Fragment Linker Prediction Using the Deep Encoder-Decoder Network for PROTACs Drug Design. May 8, 2023
Bioinformatics | Pharmacology | Virology In-silico approaches for identification of compounds inhibiting SARS-CoV-2 3CL protease. April 14, 2023
Artificial Intelligence | Pharmacology | Virology AI-driven drug repurposing and binding pose meta dynamics identifies novel targets for monkeypox virus. March 26, 2023
Pharmacology | Virology Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation. March 24, 2023
Cardiology | Pharmacology Exploring Myocardial Ischemia-Reperfusion Injury Mechanism of Cinnamon by Network Pharmacology, Molecular Docking, and Experiment Validation. March 6, 2023
Computational Biology | Medical Imaging | Oncology Exploring different computational approaches for effective diagnosis of breast cancer. December 12, 2022
Oncology De novo design of dual-target JAK2, SMO inhibitors based on deep reinforcement learning, molecular docking and molecular dynamics simulations. November 27, 2022
Drug Development | Pharmacology | Virology Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study. November 12, 2022