You can also download my CV here for more detailed descriptions.

Education

Northwestern University, Evanston, IL, USA
Ph.D. in Chemistry, 2015 - 2020
Advisor: Prof. Lin X. Chen
Dissertation: “Characterizing Protein Folding Intermediates with Time-resolved X-ray Methods and Molecular Dynamics Simulations”

National Taiwan University, Taipei, Taiwan
B.S. in Chemistry, 2011 - 2015
Advisor: Prof. Yuan-Chung Cheng
Project: “Finding the Reaction Trajectory for a Molecular Motor Using Nudged Elastic Band Method”

Experiences

NVIDIA Corporation, Remote
Solutions Architect
2023 - present

Oak Ridge National Laboratory, Oak Ridge, TN, USA
Postdoctoral Research Associate
2021 - 2023

AstraZeneca, Waltham, MA, USA
Postdoctoral Fellow
2020 - 2021


Skills

Computer Programming
Python: NumPy, SciPy, Pandas, scikit-learn, Tensorflow, Keras, PyTorch
C, CUDA, Matlab, Bash, Tcl, High-performance computing

Molecular Simulation
NAMD, GROMACS, AMBER

Productivity Applications
LaTeX, Vim, Microsoft Office, Git

Scientific Skills
Instrumental analysis (Spectroscopy and X-ray experiments), Signal analysis, Statistical modeling, Machine learning, Numerical simulations, Molecular dynamics simulations, Complex data visualization


Awards & Grants

Finalist, 2022 ACM Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research
2022 Submission: TwoFold: highly accurate structure and affinity prediction for protein-ligand complexes from sequences

Department of Chemistry Award for Excellence in Graduate Research
Northwestern University, 2020
Thesis: Characterizing Transient Disordered Protein Structures with Time-Resolved X-Ray Techniques and Molecular Dynamics Simulations.

Office of Science Graduate Student Research Award
Department of Energy, 2018 - 2019
Proposal: Investigating conformational gating of electron transfer in hybrid hemoglobin.

Mentee, Molecular Biophysics Training Program
National Institute of Health, 2016 - 2018
Proposal: Probing Metal Binding Sites and Conformations of Cytochrome c during its Folding.

Dean’s Award of College of Science
National Taiwan University, 2015

College Student Research Scholarship
Ministry of Science and Technology of Taiwan, 2014
Proposal: Potential Energy Surface Interpolation in the Nudged Elastic Band Method.


Publications

tinyIFD: A High-throughput Binding Pose Refinement Workflow Through Induced-fit Ligand Docking
Darren J. Hsu, Russell B. Davidson, Ada A. Sedova, Jens Glaser
J. Chem. Info. Model. 2023, 63, 11, 3438-3447

The Role of Intermediate Structures in the Unfolding of Trp-Cage: Generating Ensembles from Time-Resolved X-ray Solution Scattering with Genetic Algorithms
Arnold Chan, Adam Nijhawan, Darren J. Hsu, Denis Leshchev, Dolev Rimmerman, Irina Kosheleva, Kevin L. Kohlstedt, Lin X. Chen
J. Phys. Chem. Lett. 2023, 14, 5, 1133-1139

TwoFold: highly accurate structure and affinity prediction for protein-ligand complexes from sequences
Darren J. Hsu, Hao Lu, Aditya Kashi, Michael Matheson, John Gounley, Feiyi Wang, Wayne Joubert, Jens Glaser
Finalist manuscript, 2022 ACM Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research. This will be published in the International Journal of High-Performance Computing Applications (IJHPCA).

Revealing Excited State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time
Denis Leshchev, Andrew J. S. Valentine, Pyosang Kim, Alexis W. Mills, Subhangi Roy, Arnab Chakraborty, Elisa Biasin, Kristoffer Haldrup, Darren J. Hsu, Matthew S. Kirschner, Dolev Rimmerman, Matthieu Chollet, J. Michael Glownia, Tim B. van Driel, Felix N. Castellano, Xiaosong Li, Lin X. Chen
Angew. Chem. Int. Ed. 2023, e202304615

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Jens Glaser, Ada Sedova, Stephanie Galanie, Daniel W. Kneller, Russell B. Davidson, Elvis Maradzike, Sara Del Galdo, Audrey Labbé, Darren J. Hsu, Rupesh Agarwal, Dmytro Bykov, Arnold Tharrington, Jerry M. Parks, Dayle M. A. Smith, Isabella Daidone, Leighton Coates, Andrey Kovalevsky, Jeremy C. Smith.
ACS Pharmacology & Translational Science 2022, 5, 255-265

Unveiling ultrafast dynamics in bridged bimetallic complexes using optical and X-ray transient absorption spectroscopies
Michael W. Mara, Brian T. Phelan, Zhu-Lin Xie, Tae Wu Kim, Darren J. Hsu, Xiaolin Liu, Andrew J. S. Valentine, Pyosang Kim, Xiaosong Li, Shin-ichi Adachi, Tetsuo Katayama, Karen L. Mulfort, Lin X. Chen.
Chem. Sci., 2022, 13, 1715-1724

Resolving dynamics in the ensemble: finding paths through intermediate states and disordered protein structures
Adam K. Nijhawan, Arnold M. Chan, Darren J. Hsu, Lin X. Chen, Kevin L. Kohlstedt.
J. Chem. Phys. B 2021, 125, 12401-12412.

Unfolding bovine a-lactalbumin with T-jump: characterizing disordered intermediates via time-resolved X-ray solution scattering and molecular dynamics simulations
Darren J. Hsu, Denis Leshchev, Irina Kosheleva, Kevin L. Kohlstedt and Lin X. Chen.
J. Chem. Phys. 2021, 154, 105121. (Featured, Editor’s Choice 2021)

Integrating solvation shell structure in experimentally driven molecular dynamics using X-ray solution scattering data
Darren J. Hsu, Denis Leshchev, Irina Kosheleva, Kevin L. Kohlstedt and Lin X. Chen.
J. Chem. Phys. 2020, 154, 204115

Literature Highlights (on hazards of certain chemicals).
Allison Devitt, Darren J. Hsu, Jos van den Eijnde, Michael B. Blayney, Rachel D. Dicken.
ACS Chemical Health & Safety, 2020, 27, 2, 83-85.

X-ray Snapshots of Protein Folding Reveal Global Conformational Influence on Active Site Ligation
Darren J. Hsu, Denis Lechshev, Dolev Rimmerman, Jiyun Hong, Matthew Kelley, Irina Kosheleva, Xiaoyi Zhang and Lin Chen.
Chem. Sci., 2019, 10, 9788-9800.

Revealing Fast Structural Dynamics in pH-Responsive Peptides with Time-Resolved X-ray Scattering
Dolev Rimmerman, Denis Lechshev, Darren J. Hsu, Jiyun Hong, Baxter Abraham, Irina Kosheleva, Robert Henning and Lin Chen.
J. Phys. Chem. B 2019, 123, 9, 2016-2021.

Probing Cytochrome c Folding Transitions Upon Photo-Triggered Environmental Perturbations Using Time-Resolved X-Ray Scattering
Dolev Rimmerman, Denis Lechshev, Darren J. Hsu, Jiyun Hong, Baxter Abraham, Robert Henning, Irina Kosheleva and Lin Chen.
Chem. Sci., 2019, 10, 9788-9800.

Insulin hexamer dissociation dynamics revealed by photoinduced T-jumps and time-resolved X-ray solution scattering
Dolev Rimmerman, Denis Lechshev, Darren J. Hsu, Jiyun Hong, Baxter Abraham, Irina Kosheleva, Robert Henning and Lin Chen.
Photochem. Photobiol. Sci. 2018, 17, 874-882.

Direct Observation of Insulin Association Dynamics with Time-Resolved X-ray Scattering
Dolev Rimmerman, Denis Lechshev, Darren J. Hsu, Jiyun Hong, Irina Kosheleva and Lin Chen.
J. Phys. Chem. Lett. 2017, 8, 4413-4418.