WATsite: Hydration site prediction program with PyMOL interface B Hu, MA Lill Journal of computational chemistry 35 (16), 1255-1260, 2014 | 78 | 2014 |
Protein pharmacophore selection using hydration-site analysis B Hu, MA Lill Journal of chemical information and modeling 52 (4), 1046-1060, 2012 | 49 | 2012 |
PharmDock: a pharmacophore-based docking program B Hu, MA Lill Journal of cheminformatics 6, 1-14, 2014 | 46 | 2014 |
Exploring the potential of protein-based pharmacophore models in ligand pose prediction and ranking B Hu, MA Lill Journal of chemical information and modeling 53 (5), 1179-1190, 2013 | 31 | 2013 |
PL-PatchSurfer: a novel molecular local surface-based method for exploring protein-ligand interactions B Hu, X Zhu, L Monroe, MG Bures, D Kihara International journal of molecular sciences 15 (9), 15122-15145, 2014 | 30 | 2014 |
Analysis of factors influencing hydration site prediction based on molecular dynamics simulations Y Yang, B Hu, MA Lill Journal of Chemical Information and Modeling 54 (10), 2987-2995, 2014 | 25 | 2014 |
In silico ADME techniques used in early-phase drug discovery ML Danielson, B Hu, J Shen, PV Desai Translating Molecules into Medicines: Cross-Functional Integration at the …, 2017 | 21 | 2017 |
Analysis of the ToxCast chemical-assay space using the Comparative Toxicogenomics Database B Hu, E Gifford, H Wang, W Bailey, T Johnson Chemical research in toxicology 28 (11), 2210-2223, 2015 | 19 | 2015 |
WATsite2. 0 with PyMOL Plugin: Hydration site prediction and visualization Y Yang, B Hu, MA Lill Protein Function Prediction: Methods and Protocols, 123-134, 2017 | 17 | 2017 |
Structure–property relationships and machine learning models for addressing CYP3A4-mediated victim drug–drug interaction risk in drug discovery B Hu, X Zhou, MA Mohutsky, PV Desai Molecular Pharmaceutics 17 (9), 3600-3608, 2020 | 14 | 2020 |
Development of Computational Methods for Modeling of Solvation Effects and Protein Flexibility in Protein-Ligand Docking B Hu Purdue University, 2013 | | 2013 |
WATsite. User Guide A GPU-accelerated Hydration Site Prediction Program with PyMOL Plugin Y Yang, MR Masters, AH Mahmoud, B Hu, MA Lill | | |
PharmDock: A Pharmcophore-Based Docking Program User Guide B Hu, M Lill | | |
WATsite: A Hydration Site Prediction Program with PyMOL Plugin User Guide B Hu, M Lill | | |