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A Computer Vision Approach to Align and Compare Protein Cavities: Application to Fragment-Based Drug Design
1天前
已完结
AlphaSpace 2.0: Representing Concave Biomolecular Surfaces Using β-Clusters
2天前
已完结
KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination
2天前
已完结
Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2
5天前
已完结
Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology
1个月前
已完结
PropMolFlow: Property-guided Molecule Generation with Geometry-Complete Flow Matching
4个月前
已完结
A brain-inspired algorithm that mitigates catastrophic forgetting of artificial and spiking neural networks with low computational cost
4个月前
已完结
Evolutionary-scale prediction of atomic-level protein structure with a language model
4个月前
已完结
Deep contrastive learning enables genome-wide virtual screening
7个月前
已完结
Unleashing the Power of Continual Learning on Non-Centralized Devices: A Survey
7个月前
已完结
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