Bioinformatics | Drug Development | Pharmacology AI-based prediction of protein-ligand binding affinity and discovery of potential natural product inhibitors against ERK2. June 3, 2024
Bioinformatics | Drug Development | Pharmacology Distance plus attention for binding affinity prediction. May 12, 2024
Bioinformatics | Computational Chemistry | Drug design Prediction of protein-ligand binding affinity via deep learning models. March 6, 2024
Bioinformatics | Pharmacology Prediction of protein-ligand binding affinity with deep learning. January 12, 2024
Bioinformatics | Drug Discovery | Pharmacology Multi-task bioassay pre-training for protein-ligand binding affinity prediction. December 12, 2023
Bioinformatics | Computational Biology | Drug Discovery CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism. January 23, 2023
Bioinformatics | Computational Biology | Drug Discovery Effects of data quality and quantity on deep learning for protein-ligand binding affinity prediction. October 27, 2022
Biochemistry | Pharmaceutical Sciences Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein-ligand binding affinities. May 19, 2022
Bioinformatics | Chemoinformatics | Computational Biology | Pharmacology OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells. November 15, 2021
Bioinformatics | Chemistry | Pharmacology Learning protein-ligand binding affinity with atomic environment vectors. August 15, 2021
Bioinformatics | Drug Discovery | Pharmacology DeepDTAF: a deep learning method to predict protein-ligand binding affinity. April 9, 2021
Drug Discovery | Pharmacology SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors. March 26, 2021