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學術發表

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Templated Nucleation of Clotrimazole and Ketoprofen on Polymer Substrates
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Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
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WUREN: Whole-modal union representation for epitope prediction
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Structural insights into drug transport by an aquaglyceroporin
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Towards the efficient design of shared neoantigen peptide cancer vaccines using artificial intelligence
  • 學術發表, 小分子藥物發現
Application scenario-oriented molecule generation platform developed for drug discovery
  • 學術發表, 小分子藥物發現
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
  • 學術發表, 小分子藥物發現
Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study
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Cocrystal Synthesis through Crystal Structure Prediction
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Effect of Polymer Additives on the Crystal Habit of Metformin HCl
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Absolute Configuration Determination of Chiral API Molecules by MicroED Analysis of Cocrystal Powders Formed Based on Cocrystal Propensity Prediction Calculations
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DORN1 and GORK regulate stomatal closure in Arabidopsis mediated by volatile organic compound ethyl vinyl ketone

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晶研談 Vol.07