Haoyu S. Yu

According to our database1, Haoyu S. Yu authored at least 5 papers between 2017 and 2020.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2020
Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J. Chem. Inf. Model., 2020

2019
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.
J. Chem. Inf. Model., 2019

Generation of Tautomers Using Micro-pKa's.
J. Chem. Inf. Model., 2019

2018
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory.
J. Chem. Inf. Model., 2018

2017
Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries.
Comput. Phys. Commun., 2017


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