Haoyu S. Yu

According to our database, Haoyu S. Yu authored at least 6 papers between 2017 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Pattern-free generation and quantum mechanical scoring of ring-chain tautomers.

Daniel S. Levine, Mark A. Watson, Leif D. Jacobson, Claire E. Dickerson, Haoyu S. Yu, Art D. Bochevarov

J. Comput. Aided Mol. Des., 2021

2020

Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.

Janet L. Paulsen, Haoyu S. Yu, Dan Sindhikara, Lingle Wang, Todd Appleby, Armando G. Villaseñor, Uli Schmitz, Devleena Shivakumar

J. Chem. Inf. Model., 2020

2019

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.

Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2019

Generation of Tautomers Using Micro-pKa's.

Mark A. Watson, Haoyu S. Yu, Art D. Bochevarov

J. Chem. Inf. Model., 2019

2018

Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory.

Haoyu S. Yu, Mark A. Watson, Art D. Bochevarov

J. Chem. Inf. Model., 2018

2017

Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries.

Haoyu S. Yu, Lucas J. Fiedler, I. M. Alecu, Donald G. Truhlar

Comput. Phys. Commun., 2017