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Avibactam Tomilopil Form 1: A Rare Pharmaceutical Mesophase
Templated Nucleation of Clotrimazole and Ketoprofen on Polymer Substrates
Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
WUREN: Whole-modal union representation for epitope prediction
Structural insights into drug transport by an aquaglyceroporin
Towards the efficient design of shared neoantigen peptide cancer vaccines using artificial intelligence
Application scenario-oriented molecule generation platform developed for drug discovery
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
Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study
Cocrystal Synthesis through Crystal Structure Prediction
Effect of Polymer Additives on the Crystal Habit of Metformin HCl
Absolute Configuration Determination of Chiral API Molecules by MicroED Analysis of Cocrystal Powders Formed Based on Cocrystal Propensity Prediction Calculations

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Avibactam Tomilopil Form 1: A Rare Pharmaceutical Mesophase
揭開多肽結晶密碼:AI與計算化學驅動的智能結晶策略
創新方法 | MicroED突破ASD體系中微量晶體快速鑒定瓶頸