| Investigating the effects of erythrosine B on amyloid fibril formation derived from lysozyme CT Kuo, YL Chen, WT Hsu, SC How, YH Cheng, SS Hsueh, HS Liu, ... International journal of biological macromolecules 98, 159-168, 2017 | 20 | 2017 |
| Lysozyme amyloid fibrillization in presence of tacrine/acridone-coumarin heterodimers K Ulicna, Z Bednarikova, WT Hsu, M Holztragerova, JW Wu, ... Colloids and Surfaces B: Biointerfaces 166, 108-118, 2018 | 15 | 2018 |
| Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations WT Hsu, V Piomponi, PT Merz, G Bussi, MR Shirts Journal of Chemical Theory and Computation 19 (6), 1805-1817, 2023 | 8 | 2023 |
| Exploring the influence of brilliant blue G on amyloid fibril formation of lysozyme SC How, A Hsin, GY Chen, WT Hsu, SM Yang, WL Chou, SH Chou, ... International journal of biological macromolecules 138, 37-48, 2019 | 8 | 2019 |
| Identifying signatures of proteolytic stability and monomeric propensity in O-glycosylated insulin using molecular simulation WT Hsu, DA Ramirez, T Sammakia, Z Tan, MR Shirts Journal of computer-aided molecular design 36 (4), 313-328, 2022 | 3 | 2022 |
| Brilliant blue R dye is capable of suppressing amyloid fibril formation of lysozyme SC How, WT Hsu, CP Tseng, CH Lo, WL Chou, SSS Wang Journal of Biomolecular Structure and Dynamics 36 (13), 3420-3433, 2018 | 3 | 2018 |
| Adding alchemical variables to metadynamics to enhance sampling in free energy calculations WT Hsu, V Piomponi, PT Merz, G Bussi, MR Shirts arXiv preprint arXiv:2206.01329, 2022 | 2 | 2022 |
| Improved free energy calculations using multi topology ensemble of expanded ensemble AJ Friedman, WT Hsu, MR Shirts Biophysical Journal 123 (3), 422a, 2024 | | 2024 |
| Advancing alchemical free energy methods: Enhanced flexibility, parallelizability and configurational sampling WT Hsu, V Pimponi, PT Merz, G Bussi, MR Shirts 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Ensemble of expanded ensembles: A generalized ensemble approach with enhanced flexibility and parallelizability WT Hsu, MR Shirts arXiv preprint arXiv:2308.06938, 2023 | | 2023 |
| Accelerated Free Energy Calculations By Joint Biasing in Configurational and Alchemical Space in Metadynamics WT Hsu, P Merz, G Bussi, M Shirts 2022 AIChE Annual Meeting, 2022 | | 2022 |
| physical_validation: A Python package to assess the physical validity of molecular simulation results PT Merz, WT Hsu, MW Thompson, S Boothroyd, CC Walker, MR Shirts The Journal of Open Source Software 7 (69), 3981, 2022 | | 2022 |
| Gaining Mechanistic Insights into the Influence of O-Linked Glycosylation on Insulin Properties with Molecular Dynamics WT Hsu, D Ramirez, Z Tan, T Sammakia, M Shirts 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Introduction of Alchemical Variables in Metadynamics to Enhance Configurational Sampling WT Hsu, P Merz, G Bussi, M Shirts 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Structure of coumarin derivatives affects amyloid aggregation of lysozyme K Ulicna, Z Bednarikova, WT Hsu, SSS Wang, S Hamulakova, ... EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S353-S353, 2017 | | 2017 |
| Boltzmann generators: Efficient sampling of equilibrium states of many-body system with flow-based generative models WT Hsu, T Fobe | | |
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderVerified email at colorado.edu
