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Profile

Yujun Tao

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Position: Graduate Researcher
Education:
Jinan University - China - B.E. in Chemical Engineering
Email: yujun.tao[at]rutgers.edu
Office: CIPR-308


About Me:

I'm interested in free energy calculations to aid in drug discovery and design.





Publications:

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

(2020)
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)
DOI: 10.1021/acs.jcim.0c00285
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