conftrace_

binding site prediction

5 papers

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Co-occurring keywords

graph neural network (3962) protein structure (59) protein language model (40) drug discovery (119) contrastive learning (4032) virtual screening (11) transformer block (13) multi-scale representation (29) 3d u-net (5) explainable deep learning (8)

Papers

S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening AAAI 2026
Accurate Nucleic Acid-Binding Residue Identification Based Domain-Adaptive Protein Language Model and Explainable Geometric Deep Learning AAAI 2025
AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction NIPS 2024
GLPocket: A Multi-Scale Representation Learning Approach for Protein Binding Site Prediction IJCAI 2023
TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction NIPS 2022