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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Mingyi Xue

3 results in Authors: Mingyi Xue

Biological and Medicinal Chemistry

FeatureDock: Protein-Ligand Docking Guided by Physicochemical Feature-Based Local Environment Learning using Transformer

Mingyi Xue, Bojun Liu, Siqin Cao, Xuhui Huang

Version 1 posted 11 July 2024

1,065

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Theoretical and Computational Chemistry

Memory Kernel Minimization Based Neural Networks for Discovering Slow Collective Variables of Biomolecular Dynamics

Bojun Liu, Siqin Cao, Jordan G Boysen, Mingyi Xue, Xuhui Huang

Version 1 posted 04 September 2024

496

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Theoretical and Computational Chemistry

GraphVAMPnets for Uncovering Slow Collective Variables of Self-Assembly Dynamics

Bojun Liu, Mingyi Xue, Yunrui Qiu, Kirill Konovalov, Michael O’Connor, Xuhui Huang

Version 1 posted 18 May 2023

797

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1

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