Qingyi Yang

According to our database, Qingyi Yang authored at least 4 papers between 2008 and 2022.

Collaborative distances:

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

2022

TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken

J. Chem. Inf. Model., 2022

2020

Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability.

Qingyi Yang, Woodrow Burchett, Gregory S. Steeno, Shuai Liu, Mingjun Yang, David L. Mobley, Xinjun Hou

J. Comput. Chem., 2020

2019

Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken

J. Chem. Inf. Model., 2019

2008

Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules.

Ninad V. Prabhu, Manoranjan Panda, Qingyi Yang, Kim A. Sharp

J. Comput. Chem., 2008