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Harnessing physics and AI to unlock complex dynamics of challenging targets and accelerate early discovery of small molecules and macrocyclic peptides.

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>900
Total Papers
18+
Total Papers

Latest Publications

April 17, 2025
AI/ML
Toward a Unified Benchmark and Framework for Deep Learning-Based Prediction of Nuclear Magnetic Resonance Chemical Shifts
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April 17, 2025
Other
Structural Basis of Adenine Nucleotides Regulation and Neurodegenerative Pathology in ClC-3 Exchanger
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April 17, 2025
AI/ML
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
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Our mission is to democratize computational drug discovery tools and empower researchers and organizations worldwide.

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