Lei Xie
Lei Xie
Professsor, Hunter College, CUNY; Adjunct Professor, WCM, Cornell University
Verified email at
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The RCSB Protein Data Bank: a redesigned query system and relational database based on the mmCIF schema
N Deshpande, KJ Addess, WF Bluhm, JC Merino-Ott, ...
Nucleic acids research 33 (suppl_1), D233-D237, 2005
The RCSB PDB information portal for structural genomics
A Kouranov, L Xie, J de la Cruz, L Chen, J Westbrook, PE Bourne, ...
Nucleic acids research 34 (suppl_1), D302-D305, 2006
Using multiple structure alignments, fast model building, and energetic analysis in fold recognition and homology modeling
D Petrey, Z Xiang, CL Tang, L Xie, M Gimpelev, T Mitros, CS Soto, ...
Proteins: Structure, Function, and Bioinformatics 53 (S6), 430-435, 2003
DCCRN: Deep complex convolution recurrent network for phase-aware speech enhancement
Y Hu, Y Liu, S Lv, M Xing, S Zhang, Y Fu, J Wu, B Zhang, L Xie
arXiv preprint arXiv:2008.00264, 2020
Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis
SL Kinnings, N Liu, N Buchmeier, PJ Tonge, L Xie, PE Bourne
PLoS computational biology 5 (7), e1000423, 2009
Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors
L Xie, J Li, L Xie, PE Bourne
PLoS computational biology 5 (5), e1000387, 2009
Detecting evolutionary relationships across existing fold space, using sequence order-independent profile–profile alignments
L Xie, PE Bourne
Proceedings of the National Academy of sciences 105 (14), 5441-5446, 2008
Drug off-target effects predicted using structural analysis in the context of a metabolic network model
RL Chang, L Xie, L Xie, PE Bourne, Bě Palsson
PLoS computational biology 6 (9), e1000938, 2010
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen
MP Menden, D Wang, MJ Mason, et al.
Nature Communications 10, 2674, 2019
Novel computational approaches to polypharmacology as a means to define responses to individual drugs
L Xie, L Xie, SL Kinnings, PE Bourne
Annual review of pharmacology and toxicology 52, 361-379, 2012
A machine learning-based method to improve docking scoring functions and its application to drug repurposing
SL Kinnings, N Liu, PJ Tonge, RM Jackson, L Xie, PE Bourne
Journal of chemical information and modeling 51 (2), 408-419, 2011
Drug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavir
L Xie, T Evangelidis, L Xie, PE Bourne
PLoS computational biology 7 (4), e1002037, 2011
Curing methods for advanced polymer composites-a review
D Abliz, Y Duan, L Steuernagel, L Xie, D Li, G Ziegmann
Polymers and Polymer Composites 21 (6), 341-348, 2013
A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites
L Xie, PE Bourne
BMC bioinformatics 8, 1-13, 2007
Structure-based systems biology for analyzing off-target binding
L Xie, L Xie, PE Bourne
Current opinion in structural biology 21 (2), 189-199, 2011
The cancer microbiome: distinguishing direct and indirect effects requires a systemic view
JB Xavier, VB Young, J Skufca, F Ginty, T Testerman, AT Pearson, ...
Trends in cancer 6 (3), 192-204, 2020
Quantifying reproducibility in computational biology: the case of the tuberculosis drugome
D Garijo, S Kinnings, L Xie, L Xie, Y Zhang, PE Bourne, Y Gil
PloS one 8 (11), e80278, 2013
The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications
SL Kinnings, L Xie, KH Fung, RM Jackson, L Xie, PE Bourne
PLoS computational biology 6 (11), e1000976, 2010
A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery
L Xie, L Xie, PE Bourne
Bioinformatics 25 (12), i305-i312, 2009
Determining cysteines available for covalent inhibition across the human kinome
Z Zhao, Q Liu, S Bliven, L Xie, PE Bourne
Journal of medicinal chemistry 60 (7), 2879-2889, 2017
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