Scientific Reports (2024) Hyun Sik Kim, Shin Ju Oh, Byung Kwon Kim, Ji Eun Kim, Bo-Hyung Kim, Young-Kyu Park, Bo-Gie Yang, Jae-Yun Lee, Jin-Woo Bae & Chang Kyun Lee Summary 연구 필요성 연구 목 실험 방법 주요 결과 Take home message Points helpful for my research PDF files https://doi.org/10.1038/s41598-024-74002-6
Introduction Before performing molecular docking with AutoDock Vina, both the receptor (protein) and ligand (small molecule) structures must be properly prepared. This preparation includes assigning partial atomic charges, adding hydrogen atoms, and defining the flexible bonds of the ligand. AutoDock Vina uses the PDBQT format, which contains atomic coordinates, atom types, partial charges, and information
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Introduction Molecular docking is a computational method used to predict how small molecules, such as drugs and inhibitors, interact with target proteins. It is widely applied in structure-based drug discovery to investigate protein–ligand interactions, identify potential binding sites, and predict favorable ligand-binding conformations. In this exercise, each student will investigate a different protein–inhibitor pair associated
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Inflammatory Bowel Diseases 2022 Sushma Chowdary Maddipatla, Vasantha L. Kolachala, Suresh Venkateswaran, Peng Qiu and Subra Kugathasan Summary 연구 필요성 Crohn’s disease shows considerable heterogeneity in disease progression and treatment response. Bulk transcriptomic studies cannot resolve cell type-specific changes, necessitating single-cell approaches to better understand disease mechanisms. 연구 목적 To characterize cellular composition and transcriptional
