Bioinformatics | Drug Discovery | Pharmacology PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization. June 30, 2024
Bioinformatics | Drug Development | Pharmaceuticals Deep learning for advancing peptide drug development: Tools and methods in structure prediction and design. February 22, 2024
Computational Biology | Pharmacology Small molecule-mediated targeting of microRNAs for drug discovery: Experiments, computational techniques, and disease implications. June 1, 2023
Antiviral | Neurodegenerative disease | Oncology | Pharmacology Bifunctional robots inducing targeted protein degradation. April 29, 2023
Bioinformatics | Oncology | Pharmacology DeepCancerMap: A versatile deep learning platform for target- and cell-based anticancer drug discovery. April 28, 2023
Bioinformatics | Oncology | Pharmacology Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers. February 24, 2023
Medicinal Chemistry | Pharmacology Application of deep generative model for design of Pyrrolo[2,3-d] pyrimidine derivatives as new selective TANK binding kinase 1 (TBK1) inhibitors. January 5, 2023
Drug Development | Virology Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen. November 1, 2022
Oncology | Pharmacology Design, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors. August 8, 2022
Bioinformatics | Drug Discovery | Pharmacology AI-based prediction of new binding site and virtual screening for the discovery of novel P2X3 receptor antagonists. July 19, 2022
Orthopedics | Pharmacology Deep learning enables discovery of highly potent anti-osteoporosis natural products. November 7, 2020
Neuropsychiatry | Neuroscience | Pharmacology Automated design and optimization of multitarget schizophrenia drug candidates by deep learning. August 5, 2020