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Jun-Jie Ding

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Sep 2026

Discovery and mechanism analysis of novel TRPV1 antagonists driven by multi-dimensional virtual screening and dynamic simulation.

The transient receptor potential vanilloid type 1 (TRPV1) channel, a non-selective cation channel, is widely implicated in diverse physiological and pathological processes, including nociception and inflammation. Its modulators exert analgesic effects with a low risk of addiction, rendering TRPV1 a highly promising tar...

Yi-Xuan Guo, Zhi-Jiang Yang, Yi-Bo Liu et al. · 0 citations

Q‐GEM: Quantum Chemistry Knowledge Fusion Geometry‐Enhanced Molecular Representation for Property Prediction

The Q‐GEM comprises a GNN embedded with the molecular electronic and complete 3D geometrical structural information as well as several well‐designed multiscale SSL tasks, achieving superior absolute molecular conformation prediction and conformational discrimination.

Zhijiang Yang, Liangliang Wang, Tengxin Huang et al. · 6 citations

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