Bioinformatics | Drug design | Pharmacology Protein-ligand binding affinity prediction with edge awareness and supervised attention. January 24, 2023
Bioinformatics | Biology | Drug design MM-StackEns: A new deep multimodal stacked generalization approach for protein-protein interaction prediction. January 24, 2023
Chemistry | Drug design Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors. December 27, 2022
Bioinformatics | Drug design | Genetics | Protein Engineering Entropy and Variability: A Second Opinion by Deep Learning. December 23, 2022
Bioinformatics | Drug design | Molecular Biology | Pharmacology A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function. December 11, 2022
Bioinformatics | Computational Biology | Drug design DPB-NBFnet: Using neural Bellman-Ford networks to predict DNA-protein binding. November 17, 2022
Bioinformatics | Drug design | Pharmacology A deep learning method for predicting molecular properties and compound-protein interactions. August 22, 2022
Computational Chemistry | Drug design | Pharmaceutical Sciences Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design. August 8, 2022
Artificial Intelligence | Drug design | Pharmacology Multi-Objective Drug Design Based on Graph-Fragment Molecular Representation and Deep Evolutionary Learning. July 22, 2022
Bioinformatics | Drug design | Molecular Biology Systematic prediction of degrons and E3 ubiquitin ligase binding via deep learning. July 14, 2022
Bioinformatics | Drug design | Pharmacology De Novo design of potential inhibitors against SARS-CoV-2 Mpro. June 28, 2022
Deep Learning | Drug design | Pharmaceutical Sciences Designing optimized drug candidates with Generative Adversarial Network. June 26, 2022