Title: ADME Evaluation in Drug Discovery. 10. Predictions of P-Glycoprotein Inhibitors Using Recursive Partitioning and Naive Bayesian Classification Techniques Author(s): Chen, L; Li, YY; Zhao, Q; et al. Source: Molecular Pharmaceutics Volume: 8 Issue: 3 Pages: 889-900 Published: 2011 Times Cited: 0 DOI: 10.1021/mp100465q
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22-Jun-11
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Title: ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints Author(s): Tian, S; Li, YY; Wang, JM; et al. Source: Molecular Pharmaceutics Volume: 8 Issue: 3 Pages: 841-851 Published: 2011 Times Cited: 1 DOI: 10.1021/mp100444g
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22-Jun-11
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Title: Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations Author(s): Hou, TJ; Wang, JM; Li, YY; et al. Source: Journal of Chemical Information and Modeling Volume: 51 Issue: 1 Pages: 69-82 Published: 2011 Times Cited: 18 DOI: 10.1021/ci100275a
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22-Jun-11
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Title: Assessing the Performance of the Molecular Mechanics/Poisson Boltzmann Surface Area and Molecular Mechanics/Generalized Born Surface Area Methods. II. The Accuracy of Ranking Poses Generated From Docking Author(s): Hou, TJ; Wang, JM; Li, YY; et al. Source: Journal of Computational Chemistry Volume: 32 Issue: 5 Pages: 866-877 Published: 2011 Times Cited: 8 DOI: 10.1002/jcc.21666
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22-Jun-11
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Title: Influence of Doping Effect on Zinc Oxide by First-Principles Studies Author(s): Wang, Y; Hou, TJ; Tian, S; et al. Source: Journal of Physical Chemistry C Volume: 115 Issue: 15 Pages: 7706-7716 Published: 2011 Times Cited: 0 DOI: 10.1021/jp111203e
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22-Jun-11
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Title: Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors Author(s): Kim, SK; Li, YY; Abrol, R; et al. Source: Journal of Chemical Information and Modeling Volume: 51 Issue: 2 Pages: 420-433 Published: 2011 Times Cited: 1 DOI: 10.1021/ci100375b
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22-Jun-11
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Title: Prediction of peptides binding to the PKA RII alpha subunit using a hierarchical strategy Author(s): Hou, Tingjun; Li, Youyong; Wang, Wei Source: Bioinformatics Volume: 27 Issue: 13 Pages: 1814-1821 Published: JUL 1 2011 Times Cited: 0 DOI: 10.1093/bioinformatics/btr294
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13-Sep-11
8.
Title: Recent Developments of In Silico Predictions of Oral Bioavailability Author(s): Zhu, JY; Wang, JM; Yu, HD; et al. Source: Combinatorial Chemistry & High Throughput Screening Volume: 14 Issue: 5 Pages: 362-374 Published: 2011 Times Cited: 0
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22-Jun-11
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Title: Thermal phase transformation of In2Se3 nanowires studied by in situ synchrotron radiation X-ray diffraction Author(s): Li, Y; Gao, J; Li, QL; et al. Source: Journal of Materials Chemistry Volume: 21 Issue: 19 Pages: 6944-6947 Published: 2011 Times Cited: 3 DOI: 10.1039/c1jm10419e
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22-Jun-11
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Title: Computational Modeling of Structure-Function of G Protein-Coupled Receptors with Applications for Drug Design Author(s): Li, YY; Hou, TJ; Goddard, WA Source: Current Medicinal Chemistry Volume: 17 Issue: 12 Pages: 1167-1180 Published: 2010 Times Cited: 6
