3 citations · 5 across the 4 of their papers we have counts for
4 papers
A Scalable and Quantum-Accurate Foundation Model for Biomolecular Force Field via Linearly Tensorized Quadrangle Attention
Qun Su, Kai Zhu, Qiaolin Gou +11
Accurate atomistic biomolecular simulations are vital for disease mechanism understanding, drug discovery, and biomaterial design, but existing simulation methods exhibit significa…
AutoLoop: a novel autoregressive deep learning method for protein loop prediction with high accuracy
Tianyue Wang, Xujun Zhang, Langcheng Wang +12
Protein structure prediction is a critical and longstanding challenge in biology, garnering widespread interest due to its significance in understanding biological processes. A par…
Token-Mol 1.0: Tokenized drug design with large language model
Jike Wang, Rui Qin, Mingyang Wang +17
Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery la…
Delete: Deep Lead Optimization Enveloped in Protein Pocket through Unified Deleting Strategies and a Structure-aware Network
Haotian Zhang, Huifeng Zhao, Xujun Zhang +10
Drug discovery is a highly complicated process, and it is unfeasible to fully commit it to the recently developed molecular generation methods. Deep learning-based lead optimizatio…