Clinical Research | Drug Discovery | Pharmaceutical Sciences Leveraging Artificial Intelligence for Synergies in Drug Discovery: From Computers to Clinics. June 14, 2024
Bioinformatics | Computational Biology | Drug Discovery PUResNetV2.0: a deep learning model leveraging sparse representation for improved ligand binding site prediction. June 7, 2024
Drug Discovery | Pharmacology | Proteomics | Target Identification An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language model. June 7, 2024
Artificial Intelligence in Healthcare | Drug Discovery | Rare Diseases Artificial intelligence in drug repurposing for rare diseases: a mini-review. June 6, 2024
Drug Discovery | Pharmacology Synergizing Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery. June 5, 2024
Biomedical Research | Biotechnology | Drug Discovery Deep Learning for Protein-Ligand Docking: Are We There Yet? June 3, 2024
Computational Biology | Drug Discovery Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities. June 3, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Sciences PfgPDI: Pocket feature-enabled graph neural network for protein-drug interaction prediction. May 30, 2024
Biomedical Engineering | Drug Discovery | Molecular Biology | Protein Design Equivariant score-based generative diffusion framework for 3D molecules. May 30, 2024
Bioinformatics | Drug Discovery | Pharmacology FMCA-DTI: A Fragment-oriented method based on a Multihead Cross Attention mechanism to improve Drug-Target Interaction prediction. May 29, 2024
Drug Discovery | Pharmaceutical Sciences Development of scoring-assisted generative exploration (SAGE) and its application to dual inhibitor design for acetylcholinesterase and monoamine oxidase B. May 24, 2024
Bioinformatics | Drug Discovery | Pharmacology Drug-Target Binding Affinity Prediction in a Continuous Latent Space Using Variational Autoencoders. May 20, 2024