Hsu-Chun Tsai

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Position: Graduate Researcher
Education:
National Cheng Kung University - Taiwan B.S. in Chemistry (2015), SUNY Albany USA - M.S. in Chemistry (2018)
Email: hsuchun.tsai[at]rutgers.edu
Office: CIPR-308


About Me: I’m interested in the development of new free energy methods which can be applied on drug discovery or drug design. Currently I’m working on relative free energy calculations.



Full Publications:

ACES: Optimized Alchemically Enhanced Sampling

(2023) 19, 472-487
DOI: 10.1021/acs.jctc.2c00697
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways

(2023) 19, 640-658
DOI: 10.1021/acs.jctc.2c00725
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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)

(2022) 62, 6069-6083
DOI: 10.1021/acs.jcim.2c00879
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Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

(2021) 1397, 161-204
ISBN: 12345
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

(2020) 60, 5595-5623
DOI: 10.1021/acs.jcim.0c00613
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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

(2020) 16, 5512-5525
DOI: 10.1021/acs.jctc.0c00237
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Validation of Free Energy Methods in AMBER

(2020) 60, 5296-5300
DOI: 10.1021/acs.jcim.0c00285
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