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Journal of Chemical Information and Modeling | ResearchHub - ResearchHub

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Journal of Chemical Information and Modeling

American Chemical Society (ACS) · ISSN 1549-9596

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Researchers publishing here

20 linked researchers

Yutao Guo Zihan Zhang Xuezhou Zhao mengxi Chen Yongkang Qiu Jingxin Qiao Lengjing Zhu Le Du Shengyong Yang Jun Zou Hodaka Mori Yu Miyazaki Takechika Kikkawa Carissa P. Corbo Scott R. Laverty Robert C. Rizzo Guangshun Wang Marissa Dolorfino Daniel Santos Perez Shu-Hang Lin

Research in this journal

REAPS: An All-Atom Receptor-Aware Geometric Deep Learning Framework for <i>De Novo</i> Design of Linear and Macrocyclic Peptide Binders2026 · Yongkang Qiu, Jingxin Qiao, Lengjing Zhu · 0 citations

Pose Reproduction, Cross Docking, Database Enrichment, and Reverse Docking Benchmarks for DOCK6, Vina, and AutoDock 4 with Emphasis on Approved Drugs2026 · Carissa P. Corbo, Scott R. Laverty, Robert C. Rizzo · 0 citations

Public Database Leakage Distorts Model Rankings in Real-Spectra NMR Structure Elucidation2026 · Zihan Zhang, mengxi Chen, Xuezhou Zhao · 0 citations

AI Prediction of Future Antibiotics: Genome-Predicted Antimicrobial Peptides Are Stained with the Amino Acid Signature of Man-Made Synthetic Peptides2026 · Guangshun Wang · 0 citations

CoTAR: Topology and Atomic State Reconstruction in Condensed Phases

2026 · Hodaka Mori, Yu Miyazaki, Takechika Kikkawa · 0 citations

Assessing the Generalizability of Machine Learning and Physics-Based Methods with DNA-Encoded Libraries2026 · Marissa Dolorfino, Daniel Santos Perez, Shu-Hang Lin · 0 citations