1 citations · 1 across the 10 of their papers we have counts for
11 papers
DegradeQuery: Counterfactual Tuple Pretraining for Context-Aware PROTAC Degradation Prediction
Dong Xu, Zhangfan Yang, Jiantao Wu +3
Proteolysis-targeting chimeras (PROTACs) induce protein degradation by recruiting a target protein to an E3 ubiquitin ligase, making degradation a joint outcome of the degrader mol…
SLSREC: Self-Supervised Contrastive Learning for Adaptive Fusion of Long- and Short-Term User Interests
Wei Zhou, Yue Shen, Junkai Ji +5
User interests typically encompass both long-term preferences and short-term intentions, reflecting the dynamic nature of user behaviors across different timeframes. The uneven tem…
BioLM-Score: Language-Prior Conditioned Probabilistic Geometric Potentials for Protein-Ligand Scoring
Zhangfan Yang, Baoyun Chen, Dong Xu +4
Protein-ligand scoring is a central component of structure-based drug design, underpinning molecular docking, virtual screening, and pose optimization. Conventional physics-based e…
RIGA-Fold: A General Framework for Protein Inverse Folding via Recurrent Interaction and Geometric Awareness
Sisi Yuan, Jiehuang Chen, Junchuang Cai +4
Protein inverse folding, the task of predicting amino acid sequences for desired structures, is pivotal for de novo protein design. However, existing GNN-based methods typically su…
Unveiling Scaling Behaviors in Molecular Language Models: Effects of Model Size, Data, and Representation
Dong Xu, Qihua Pan, Sisi Yuan +3
Molecular generative models, often employing GPT-style language modeling on molecular string representations, have shown promising capabilities when scaled to large datasets and mo…
From Tokens to Blocks: A Block-Diffusion Perspective on Molecular Generation
Qianwei Yang, Dong Xu, Zhangfan Yang +4
Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among thes…