Publications

Anika J. Friedman, Wei-Tse Hsu, Miahael R. Shirts (2024). Multiple Topology Replica Exchange of Expanded Ensembles (MT-REXEE) for Multidimensional Alchemical Calculations. JCTC.

Wei-Tse Hsu, Miahael R. Shirts (2024). Replica exchange of expanded ensembles: A generalized ensemble approach with enhanced flexibility and parallelizability. JCTC.

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Wei-Tse Hsu, Valerio Piomponi, Pascal T. Merz, Giovanni Bussi, Miahael R. Shirts (2023). Alchemical metadynamics: Adding alchemical variables to metadynamics to enhance sampling in free energy calculations. JCTC.

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Wei-Tse Hsu, Dominique A. Ramirez, Tarek Sammakia, Zhongping Tan, Michael R. Shirts (2022). Identifying signatures of proteolytic stability and monomeric propensity in O-glycosylated insulin using molecular simulation. J Comput Aided Mol Des.

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Pascal T. Merz, Wei-Tse Hsu, Matt W. Thompson, Simon Boothroyd, Chris C. Walker, Michael R. Shirts (2022). physical_validation: A Python package to assess the physical validity of molecular simulation results. JOSS.

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Su-Chun How, Ai Hsin, Guan-Yu Chen, Wei-Tse Hsu, Szu-Ming Yang, Wei-Lung Chou, Shiu-Huey Chou, Steven S.-S. Wang (2019). Exploring the influence of brilliant blue G on amyloid fibril formation of lysozyme. Int. J. Biol. Macromol..

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Katarina Ulicna, Zuzana Bednarikova, Wei-Tse Hsu, Martina Holztragerova, Josephine W Wu, Slavka Hamulakova, Steven S.-S. Wang, Zuzana Gazova (2018). Lysozyme amyloid fibrillization in presence of tacrine/acridone-coumarin heterodimers. Colloids Surf. B.

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Su-Chun How, Wei-Tse Hsu, Chia-Ping Tseng, Chun-Hsien Lo, Wei-Lung Chou, Steven S.-S. Wang (2017). Brilliant blue R dye is capable of suppressing amyloid fibril formation of lysozyme. J. Biomol. Struct. Dyn..

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Chun-Tien Kuo, Yi-Lin Chen, Wei-Tse Hsu, Su-Chun How, Yu-Hong Cheng, Shu-Shun Hsueh, Hwai-Shen Liu, Ta-Hsien Lin, Josephine W Wu, Steven S.-S. Wang (2017). Investigating the effects of erythrosine B on amyloid fibril formation derived from lysozyme. Int. J. Biol. Macromol..

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