Ying Yang
Affiliations: | Purdue University, West Lafayette, IN, United States |
Area:
Computational ChemistryGoogle:
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Publications
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Mahmoud AH, Masters MR, Yang Y, et al. (2020) Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning. Communications Chemistry. 3: 19 |
Mahmoud AH, Yang Y, Lill MA. (2019) Improving atom type diversity and sampling in co-solvent simulations using λ-dynamics. Journal of Chemical Theory and Computation |
Yang Y, Mahmoud AH, Lill MA. (2018) Modeling of halogen-protein interactions in co-solvent molecular dynamics simulations. Journal of Chemical Information and Modeling |
Masters MR, Mahmoud AH, Yang Y, et al. (2018) Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites. Journal of Chemical Information and Modeling |
Yang Y, Abdallah AHA, Lill MA. (2018) Calculation of Thermodynamic Properties of Bound Water Molecules. Methods in Molecular Biology (Clifton, N.J.). 1762: 389-402 |
Yang Y, Hu B, Lill MA. (2017) WATsite2.0 with PyMOL Plugin: Hydration Site Prediction and Visualization. Methods in Molecular Biology (Clifton, N.J.). 1611: 123-134 |
Yang Y, Lill MA. (2016) Dissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand Binding. Journal of Chemical Theory and Computation |
Kingsley LJ, Esquivel-Rodríguez J, Yang Y, et al. (2016) Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations. Journal of Computational Chemistry |
Yang Y, Hu B, Lill MA. (2014) Analysis of factors influencing hydration site prediction based on molecular dynamics simulations. Journal of Chemical Information and Modeling. 54: 2987-95 |