Lei Xie

Best Publications

• Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis.

  Sarah L. Kinnings;Nina Liu;Nancy Buchmeier;Peter J. Tonge

  385
  Citations

• Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors.

  Li Xie;Jerry Li;Lei Xie;Philip E. Bourne;Philip E. Bourne

  321
  Citations

• Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments.

  Lei Xie;Philip E. Bourne

  276
  Citations

• A Machine Learning-Based Method To Improve Docking Scoring Functions and Its Application to Drug Repurposing

  Sarah L. Kinnings;Nina Liu;Peter J. Tonge;Richard M. Jackson

  251
  Citations

• Drug off-target effects predicted using structural analysis in the context of a metabolic network model.

  Roger L. Chang;Li Xie;Lei Xie;Philip E. Bourne;Philip E. Bourne

  246
  Citations

• The Cancer Microbiome: Distinguishing Direct and Indirect Effects Requires a Systemic View

  Joao B. Xavier;Vincent B. Young;Joseph Skufca;Fiona Ginty

  245
  Citations

• Novel computational approaches to polypharmacology as a means to define responses to individual drugs.

  Lei Xie;Li Xie;Sarah L. Kinnings;Philip E. Bourne

  233
  Citations

• TranSynergy: Mechanism-driven interpretable deep neural network for the synergistic prediction and pathway deconvolution of drug combinations

  Unknown

  195
  Citations

• A deep learning framework for high-throughput mechanism-driven phenotype compound screening and its application to COVID-19 drug repurposing

  Unknown

  191
  Citations

• Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir

  Li Xie;Thomas Evangelidis;Lei Xie;Lei Xie;Philip E. Bourne

  190
  Citations

• A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites

  Lei Xie;Philip E Bourne

  180
  Citations

• Structure-based Systems Biology for Analyzing Off-target Binding

  Lei Xie;Li Xie;Philip E Bourne

  177
  Citations

• Quantifying reproducibility in computational biology: the case of the tuberculosis drugome.

  Daniel Garijo;Sarah Kinnings;Li Xie;Lei Xie

  127
  Citations

• The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications

  Unknown

  119
  Citations

• A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery

  Lei Xie;Li Xie;Philip E. Bourne

  118
  Citations

• In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators

  Lei Xie;Jian Wang;Philip E Bourne;Philip E Bourne

  105
  Citations

• A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology.

  Jacob D. Durrant;Rommie E. Amaro;Lei Xie;Michael D. Urbaniak

  104
  Citations

• Heterogeneous Multi-Layered Network Model for Omics Data Integration and Analysis.

  Unknown

  103
  Citations

• Functional Coverage of the Human Genome by Existing Structures, Structural Genomics Targets, and Homology Models

  Lei Xie;Philip E Bourne

  91
  Citations

• WeNet 2.0: More Productive End-to-End Speech Recognition Toolkit

  Unknown

  91
  Citations