Mingjun Yang

Combine umbrella sampling with integrated tempering method for efficient and accurate calculation of free energy changes of complex energy surface.

Hao Hu, Mingjun Yang, Lijiang Yang, 2014, The Journal of chemical physics.

Optimization of the number of openhole packers in horizontal wells completed by inflow control devices for different types of reservoirs

Wei Luo, Haitao Li, Yongqing Wang, 2015 .

Harnessing Cloud Architecture for Crystal Structure Prediction Calculations

Bruno C. Hancock, Jian Ma, Peiyu Zhang, 2018, Crystal Growth & Design.

Efficient free energy calculations by combining two complementary tempering sampling methods.

Lin Shen, Mingjun Yang, Liangxu Xie, 2017, The Journal of chemical physics.

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..

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Mingjun Yang, Gianpaolo Gobbo, 2021, J. Chem. Inf. Model..

Correction to "A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery"

Mingjun Yang, Gianpaolo Gobbo, Shuhao Wen, 2021, J. Chem. Inf. Model..

Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field.

Alexander D. MacKerell, Alexander D MacKerell, Mingjun Yang, 2018, Carbohydrate research.