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Accelerating the Macrocycle Pharmaceutical Design Pipeline in silico
Macrocycles are often attractive ligand matter for pharmaceutical projects from natural product optimization to small molecule or peptide cyclization. Unfortunately, significant hurdles still exist both in synthesis and in modeling. Here, we present an overview of the problems and solutions in macrocycle design and highlight a new tool for automated macrocycle design.

加速计算机辅助大环药物设计
从天然产物的优化,到小分子或多肽的环化,大环往往是药物项目中具有吸引力的配体。不幸的是,在合成和建模方面仍然存在重大障碍。在这里,我们将探讨大环设计的挑战和解决方案并重点介绍一个新的自动化大环设计工具。

Dec 23, 2020 03:00 PM in Beijing, Shanghai

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Speakers

Jianxin Duan / 段践辛
@Schrödinger