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学术发表

Harnessing Cloud Architecture for Crystal Structure Prediction Calculations
Tuning peptide self-assembly by an in-tether chiral center
CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses
Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field

晶泰搜索

Integrating Multimodal AI with Encoded Medicinal Knowledge and Physics Simulations: A Unified Platform for Accelerated Drug Discovery from Patent Analysis to Potency Validation
AI-Predicted Full-Spectrum UV Correction Factors: An Analyte-Standard-Free Framework for Reaction Yield Quantification
SureRoute: Toward a Hallucination-Free Self-Improving Platform for Retrosynthesis