Lei Xie, Ph.D. - Publications

2013 Yale University, New Haven, CT 

33 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
2019 Xie L, Zhang Y, Qu Y, Chai L, Li X, Wang H. Effects of nitrate on development and thyroid hormone signaling pathway during Bufo gargarizans embryogenesis. Chemosphere. 235: 227-238. PMID 31260863 DOI: 10.1016/j.chemosphere.2019.06.177  0.48
2019 Zhao Z, Xie L, Bourne PE. Structural Insights into Characterizing Binding Sites in Epidermal Growth Factor Receptor Kinase Mutants. Journal of Chemical Information and Modeling. 59: 453-462. PMID 30582689 DOI: 10.1021/acs.jcim.8b00458  0.48
2018 Xie L, Zhang Y, Li X, Chai L, Wang H. Exposure to nitrate alters the histopathology and gene expression in the liver of Bufo gargarizans tadpoles. Chemosphere. 217: 308-319. PMID 30419385 DOI: 10.1016/j.chemosphere.2018.11.029  0.48
2017 Zhang Y, Ding Y, Xie L, Ma H, Yao X, Zhang C, Yuan C, Xu W. On-surface synthesis of adenine oligomers via Ullmann reaction. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29028154 DOI: 10.1002/cphc.201701009  0.48
2017 Zhang Y, Xie L, Li X, Chai L, Chen M, Kong X, Wang Q, Liu J, Zhi L, Yang C, Wang H. Effects of fluoride on morphology, growth, development, and thyroid hormone of Chinese toad (Bufo gargarizans) embryos. Environmental and Molecular Mutagenesis. PMID 29024016 DOI: 10.1002/em.22147  0.48
2017 Zhao Z, Xie L, Bourne PE. Insights into the binding mode of MEK type-III inhibitors. A step towards discovering and designing allosteric kinase inhibitors across the human kinome. Plos One. 12: e0179936. PMID 28628649 DOI: 10.1371/journal.pone.0179936  0.48
2017 Zhao Z, Liu Q, Bliven S, Xie L, Bourne PE. Determining cysteines available for covalent inhibition across the human kinome. Journal of Medicinal Chemistry. PMID 28326775 DOI: 10.1021/acs.jmedchem.6b01815  0.48
2016 Xie L, Draizen EJ, Bourne PE. Harnessing Big Data for Systems Pharmacology. Annual Review of Pharmacology and Toxicology. PMID 27814027 DOI: 10.1146/annurev-pharmtox-010716-104659  0.48
2016 Zhao Z, Xie L, Xie L, Bourne PE. Delineation of polypharmacology across the human structural kinome using a functional site interaction fingerprint approach. Journal of Medicinal Chemistry. PMID 26929980 DOI: 10.1021/acs.jmedchem.5b02041  0.48
2016 Zhao Z, Martin C, Fan R, Bourne PE, Xie L. Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology. Bmc Bioinformatics. 17: 90. PMID 26887654 DOI: 10.1186/s12859-016-0941-9  0.48
2015 Xie L, Bourne PE. Developing multi-target therapeutics to fine-tune the evolutionary dynamics of the cancer ecosystem. Frontiers in Pharmacology. 6: 209. PMID 26441664 DOI: 10.3389/fphar.2015.00209  0.48
2015 Tsai LC, Xie L, Dore K, Xie L, Del Rio JC, King CC, Martinez-Ariza G, Hulme C, Malinow R, Bourne PE, Newton AC. Zeta Inhibitory Peptide Disrupts Electrostatic Interactions That Maintain Atypical Protein Kinase C in Its Active Conformation on the Scaffold p62. The Journal of Biological Chemistry. PMID 26187466 DOI: 10.1074/jbc.M115.676221  0.48
2014 Deng G, Zhang Y, Cai H, Gu W, Cai Y, Xie L, Liu B, Li J, Li S, Cheng D, Zhao Q. [Effects of physical factors on neck or shoulder pain and low back pain of adolescents]. Zhonghua Yi Xue Za Zhi. 94: 3411-5. PMID 25622672  0.48
2014 Xie L, Ge X, Tan H, Xie L, Zhang Y, Hart T, Yang X, Bourne PE. Towards structural systems pharmacology to study complex diseases and personalized medicine. Plos Computational Biology. 10: e1003554. PMID 24830652 DOI: 10.1371/journal.pcbi.1003554  0.48
2014 Ng C, Hauptman R, Zhang Y, Bourne PE, Xie L. Anti-infectious drug repurposing using an integrated chemical genomics and structural systems biology approach. Pacific Symposium On Biocomputing. Pacific Symposium On Biocomputing. 136-47. PMID 24297541  0.48
2013 Garijo D, Kinnings S, Xie L, Xie L, Zhang Y, Bourne PE, Gil Y. Quantifying reproducibility in computational biology: the case of the tuberculosis drugome. Plos One. 8: e80278. PMID 24312207 DOI: 10.1371/journal.pone.0080278  0.48
2013 Chang RL, Xie L, Bourne PE, Palsson BO. Antibacterial mechanisms identified through structural systems pharmacology. Bmc Systems Biology. 7: 102. PMID 24112686 DOI: 10.1186/1752-0509-7-102  0.48
2013 Xie L, Ng C, Ali T, Valencia R, Ferreira BL, Xue V, Tanweer M, Zhou D, Haddad GG, Bourne PE, Xie L. Multiscale modeling of the causal functional roles of nsSNPs in a genome-wide association study: application to hypoxia. Bmc Genomics. 14: S9. PMID 23819581 DOI: 10.1186/1471-2164-14-S3-S9  0.48
2012 Ho Sui SJ, Lo R, Fernandes AR, Caulfield MD, Lerman JA, Xie L, Bourne PE, Baillie DL, Brinkman FS. Raloxifene attenuates Pseudomonas aeruginosa pyocyanin production and virulence. International Journal of Antimicrobial Agents. 40: 246-51. PMID 22819149 DOI: 10.1016/j.ijantimicag.2012.05.009  0.48
2012 Xie L, Xie L, Kinnings SL, Bourne PE. Novel computational approaches to polypharmacology as a means to define responses to individual drugs. Annual Review of Pharmacology and Toxicology. 52: 361-79. PMID 22017683 DOI: 10.1146/annurev-pharmtox-010611-134630  0.48
2012 Xie L, Kinnings SL, Bourne PE. Predicting the Polypharmacology of Drugs: Identifying New Uses through Chemoinformatics, Structural Informatics, and Molecular Modeling-Based Approaches Drug Repositioning: Bringing New Life to Shelved Assets and Existing Drugs. 163-205. DOI: 10.1002/9781118274408.ch7  0.48
2011 Xie L, Evangelidis T, Xie L, Bourne PE. Drug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavir. Plos Computational Biology. 7: e1002037. PMID 21552547 DOI: 10.1371/journal.pcbi.1002037  0.48
2011 Kinnings SL, Liu N, Tonge PJ, Jackson RM, Xie L, Bourne PE. Correction to "Machine learning-based method to improve docking scoring functions and its application to drug repurposing". Journal of Chemical Information and Modeling. 51: 1195-7. PMID 21526828 DOI: 10.1021/ci2001346  0.48
2011 Xie L, Xie L, Bourne PE. Structure-based systems biology for analyzing off-target binding. Current Opinion in Structural Biology. 21: 189-99. PMID 21292475 DOI: 10.1016/j.sbi.2011.01.004  0.48
2011 Kinnings SL, Liu N, Tonge PJ, Jackson RM, Xie L, Bourne PE. A machine learning-based method to improve docking scoring functions and its application to drug repurposing. Journal of Chemical Information and Modeling. 51: 408-19. PMID 21291174 DOI: 10.1021/ci100369f  0.48
2010 Kinnings SL, Xie L, Fung KH, Jackson RM, Xie L, Bourne PE. The Mycobacterium tuberculosis drugome and its polypharmacological implications. Plos Computational Biology. 6: e1000976. PMID 21079673 DOI: 10.1371/journal.pcbi.1000976  0.48
2010 Chang RL, Xie L, Xie L, Bourne PE, Palsson BØ. Drug off-target effects predicted using structural analysis in the context of a metabolic network model. Plos Computational Biology. 6: e1000938. PMID 20957118 DOI: 10.1371/journal.pcbi.1000938  0.48
2010 Ren J, Xie L, Li WW, Bourne PE. SMAP-WS: a parallel web service for structural proteome-wide ligand-binding site comparison. Nucleic Acids Research. 38: W441-4. PMID 20484373 DOI: 10.1093/nar/gkq400  0.48
2010 Durrant JD, Amaro RE, Xie L, Urbaniak MD, Ferguson MA, Haapalainen A, Chen Z, Di Guilmi AM, Wunder F, Bourne PE, McCammon JA. A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology. Plos Computational Biology. 6: e1000648. PMID 20098496 DOI: 10.1371/journal.pcbi.1000648  0.48
2009 Kinnings SL, Liu N, Buchmeier N, Tonge PJ, Xie L, Bourne PE. Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis. Plos Computational Biology. 5: e1000423. PMID 19578428 DOI: 10.1371/journal.pcbi.1000423  0.48
2009 Xie L, Xie L, Bourne PE. A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery. Bioinformatics (Oxford, England). 25: i305-12. PMID 19478004 DOI: 10.1093/bioinformatics/btp220  0.48
2009 Xie L, Li J, Xie L, Bourne PE. Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors. Plos Computational Biology. 5: e1000387. PMID 19436720 DOI: 10.1371/journal.pcbi.1000387  0.48
2008 Xie L, Bourne PE. Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments. Proceedings of the National Academy of Sciences of the United States of America. 105: 5441-6. PMID 18385384 DOI: 10.1073/pnas.0704422105  0.48
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