NettetInteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions Overview of attention … Nettet8. des. 2024 · InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions. Dejun Jiang …
TocoDecoy: A New Approach to Design Unbiased Datasets for …
Nettet8. apr. 2024 · Prediction of protein-ligand interactions is a critical step during the initial phase of drug discovery. We propose a novel deep-learning-based prediction model based on a graph convolutional neural network, named GraphBAR, for protein-ligand binding affinity. Graph convolutional neural networks reduce the computational time and … NettetInteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Prediction and Large-scale Structure-based Virtual Screening - InteractionGraphNet/README.md at main · zjujdj/InteractionGraphNet coast to coast members only
Predicting protein-ligand binding residues with deep convolutional ...
Nettet16. des. 2024 · 2024年12月，浙江大学智能创新药物研究院人工智能制药平台侯廷军主任团队联合浙江大学计算机学院吴健教授团队、中南大学曹东升团队和腾讯量子实验室，在药物化学领域权威期刊Journal of Medicinal Chemistry发表了基于图表示学习方法的高精度打分函数模型InteractionGraphNet (IGN)。 NettetInteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions Published in: Journal of Medicinal Chemistry, December 2024 DOI: 10.1021/acs.jmedchem.1c01830: Pubmed ID: 34878785. Authors: Nettet18. feb. 2024 · To leverage the power of GCN to benefit various users from chemists to cheminformaticians, an open-source GCN tool, kGCN, is introduced. To support the … coast to coast membership resale