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Ying Yang - Publications

Affiliations: 
Purdue University, West Lafayette, IN, United States 
Area:
Computational Chemistry
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Mahmoud AH, Masters MR, Yang Y, Lill MA. Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning. Communications Chemistry. 3: 19. PMID 36703428 DOI: 10.1038/s42004-020-0261-x  0.595
2019 Mahmoud AH, Yang Y, Lill MA. Improving atom type diversity and sampling in co-solvent simulations using λ-dynamics. Journal of Chemical Theory and Computation. PMID 30933496 DOI: 10.1021/Acs.Jctc.8B00940  0.618
2018 Yang Y, Mahmoud AH, Lill MA. Modeling of halogen-protein interactions in co-solvent molecular dynamics simulations. Journal of Chemical Information and Modeling. PMID 30525593 DOI: 10.1021/Acs.Jcim.8B00806  0.591
2018 Masters MR, Mahmoud AH, Yang Y, Lill MA. Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites. Journal of Chemical Information and Modeling. PMID 30289252 DOI: 10.1021/Acs.Jcim.8B00544  0.624
2018 Yang Y, Abdallah AHA, Lill MA. Calculation of Thermodynamic Properties of Bound Water Molecules. Methods in Molecular Biology (Clifton, N.J.). 1762: 389-402. PMID 29594782 DOI: 10.1007/978-1-4939-7756-7_19  0.646
2017 Yang Y, Hu B, Lill MA. WATsite2.0 with PyMOL Plugin: Hydration Site Prediction and Visualization. Methods in Molecular Biology (Clifton, N.J.). 1611: 123-134. PMID 28451976 DOI: 10.1007/978-1-4939-7015-5_10  0.65
2016 Yang Y, Lill MA. 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. PMID 27494046 DOI: 10.1021/Acs.Jctc.6B00411  0.645
2016 Kingsley LJ, Esquivel-Rodríguez J, Yang Y, Kihara D, Lill MA. Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations. Journal of Computational Chemistry. PMID 27232548 DOI: 10.1002/Jcc.24412  0.574
2014 Yang Y, Hu B, Lill MA. Analysis of factors influencing hydration site prediction based on molecular dynamics simulations. Journal of Chemical Information and Modeling. 54: 2987-95. PMID 25252619 DOI: 10.1021/Ci500426Q  0.637
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