Qingyi Yang

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

David L Mobley, Shuai Liu, Mingjun Yang, 2020, J. Comput. Chem..

Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space.

Alpha A Lee, Vishnu Sresht, Peter Bolgar, 2019, Chemical communications.

Atomic Charge Parameters for the Finite Difference Poisson-Boltzmann Method Using Electronegativity Neutralization.

Qingyi Yang, K. Sharp, Qingyi Yang, 2006, Journal of chemical theory and computation.

Building alternate protein structures using the elastic network model

Qingyi Yang, K. Sharp, Qingyi Yang, 2009, Proteins.