Qingyi Yang

Publication Activity (10 Years)

Years Active: 2008-2022
Publications (10 Years): 3

Top Topics

Molecular Structures

Protein Folding

Loopy Belief Propagation

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics. J. Chem. Inf. Model. 62 (4) (2022)
Qingyi Yang, Woodrow Burchett, Gregory S. Steeno, Shuai Liu, Mingjun Yang, David L. Mobley, Xinjun Hou
Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability. J. Comput. Chem. 41 (3) (2020)
Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. J. Chem. Inf. Model. 59 (10) (2019)
Ninad V. Prabhu, Manoranjan Panda, Qingyi Yang, Kim A. Sharp
Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules. J. Comput. Chem. 29 (7) (2008)