A Discard-and-Restart MD algorithm for the sampling of realistic protein transition states and enhance structure-based drug discovery
Ianeselli Alan 1Howard Jonathon 1Gerstein Mark B.2
作者信息
- 1. Department of Molecular Biophysics and Biochemistry, Yale University
- 2. Department of Molecular Biophysics and Biochemistry, Yale University||Program in Computational Biology and Bioinformatics, Yale University||Department of Computer Science, Yale University||Department of Statistics and Data Science, Yale University||Department of Biomedical Informatics & Data Science, Yale University
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Ianeselli Alan,Howard Jonathon,Gerstein Mark B..A Discard-and-Restart MD algorithm for the sampling of realistic protein transition states and enhance structure-based drug discovery[EB/OL].(2025-03-28)[2025-12-13].https://www.biorxiv.org/content/10.1101/2024.06.14.598892.学科分类
生物科学研究方法、生物科学研究技术/药学/分子生物学
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