Wei-Tse Hsu
Wei-Tse Hsu
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Projects
Replica exchange of expanded ensembles (REXEE)
A new alchemical free energy methods that combines expanded ensemble and Hamiltonian replica exchange to solve the limitations of both.
Publication
Code
Documentation
Tutorial
Alchemical metadynamics
A new advanced sampling method that allows enhanced configurational sampling in alchemical free energy calculations.
Publication
Code
Poster
Tutorial
Computer-aided design of glycosylated insulin
A screening method for assessing the proteolytic stability and dimerization propensity of
O
-glycosylated insulin using molecular dynamics.
Publication
Code
Poster
Improvement of the physical_validation package
In this internal project within the Shirts Research Group, we improved
physical_validation
, which is a Python package for testing the physical validity of molecular simulations.
Publication
Code
Documentation
Implementation and data reproduction of Boltzmann generators
In this project, I successfully implemented Boltzmann generators from scratch and reproduced the data presented in the original paper published in Science.
Project paper
Code
Slides
Exploration of the influence of small molecules on protein fibrillogenesis
Undergraduate studies that led me to co-author 4 journal papers and earn 5 prizes in oral/poster presentation competitions at different conferences.
Talk
Publication (BBG)
Publication (BBR)
Publication (ErB)
Publication (heterodimers)
Process optimization of the production of glycerol carbonate from glycerol
This work was awarded the 3rd prize in the 2017 Collegiate Process Design Competition held by Taiwan Institute of Chemical Engineers.
Poster
Modelling of fluorophore diffusivity on supported lipid bilayers
The development of MATLAB codes for estimating the fluorophore diffusivity in FRAP experiments.
Talk
Slides
Cite
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