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Guishen Wang

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Jul 2026

DeepGCL: Multi-View Graph Contrastive Learning for Enhanced Drug-Target Binding Affinity Prediction Through Protein Pocket-Drug Interaction Modeling.

DeepGCL is presented, a novel multi-modal framework that leverages multi-view graph contrastive learning to capture latent representations of pocket-drug interactions and their underlying molecular determinants and underscores the effectiveness of multi-view learning paradigms in capturing the multifaceted nature of drug-target interactions.

Hongmei Wang, Shisen Sun, Mujin Li et al. · 0 citations
Review Jul 2026

Deep generative models for 3D structure-based drug design and molecular optimisation: a comprehensive survey

This survey provides a comprehensive review of over 100 methods in 3D structure-based drug design (SBDD) and molecular optimisation, and proposes a unified taxonomy covering four primary generative paradigms: autoregressive models, diffusion models, flow matching, and Bayesian Flow Networks.

Yin Zhang, Yuyouqiang Fu, Guishen Wang · 0 citations