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Updated: May 24, 2025

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GNINA 1.3:分子对接与深度学习的下一个增量

Andrew T McNutt1, Yanjing Li2, Rocco Meli3,4

  • 1Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, PA, USA.

Journal of cheminformatics
|March 2, 2025
PubMed
概括

开源分子对接软件GNINA已更新到1.3版本. 这一版本提高了计算效率,并为药物设计引入了共价对接功能.

关键词:
深度学习是一种深度学习.分子对接是分子对接.基于结构的药物设计.

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