• Publications
  • Influence
NOREVA: normalization and evaluation of MS-based metabolomics data
TLDR
We developed NOREVA to enable performance evaluation of various normalization methods from multiple perspectives by taking multiple criteria into consideration. Expand
  • 128
  • 3
  • PDF
Performance Evaluation and Online Realization of Data-driven Normalization Methods Used in LC/MS based Untargeted Metabolomics Analysis
TLDR
In untargeted metabolomics analysis, several factors (e.g., unwanted experimental & biological variations and technical errors) may hamper the identification of differential metabolic features, which requires the data-driven normalization approaches before feature selection. Expand
  • 70
  • 3
  • PDF
Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435.
Hepatitis C virus (HCV) NS3/4A protease represents an attractive drug target for antiviral therapy. However, drug resistance often occurs, making many protease inhibitors ineffective and allowingExpand
  • 71
  • 3
Convolutional neural network-based annotation of bacterial type IV secretion system effectors with enhanced accuracy and reduced false discovery
TLDR
The type IV bacterial secretion system (SS) is reported to be one of the most ubiquitous SSs in nature and can induce serious conditions by secreting type IV SS effectors (T4SEs) into the host cells. Expand
  • 19
  • 3
  • PDF
Interaction of erucic acid with bovine serum albumin using a multi-spectroscopic method and molecular docking technique.
Overconsumption of erucic acid has been shown to cause heart damage in animals. The aim of this study is to evaluate the binding behaviour between erucic acid and bovine serum albumin usingExpand
  • 67
  • 2
Spectroscopic and molecular modeling evidence of clozapine binding to human serum albumin at subdomain IIA.
  • X. Wu, J. Liu, +4 authors Jing Jin
  • Chemistry, Medicine
  • Spectrochimica acta. Part A, Molecular and…
  • 1 September 2011
Various spectroscopy and molecular docking methods were used to examine the binding of Clozapine (CLZ) to human serum albumin (HSA) in this paper. By monitoring the intrinsic fluorescence of singleExpand
  • 39
  • 2
The Human Kinome Targeted by FDA Approved Multi-Target Drugs and Combination Products: A Comparative Study from the Drug-Target Interaction Network Perspective
The human kinome is one of the most productive classes of drug target, and there is emerging necessity for treating complex diseases by means of polypharmacology (multi-target drugs and combinationExpand
  • 34
  • 2
  • PDF
Understanding the drug resistance mechanism of hepatitis C virus NS3/4A to ITMN-191 due to R155K, A156V, D168A/E mutations: a computational study.
BACKGROUND ITMN-191 (RG7227, Danoprevir), as a potential inhibitor of the NS3/4A protease of hepatitis C virus, has been in phase 2 clinical trial. Unfortunately, several ITMN-191 resistance mutantsExpand
  • 32
  • 2
  • PDF
Protein functional annotation of simultaneously improved stability, accuracy and false discovery rate achieved by a sequence-based deep learning
TLDR
In this study, a protein encoding strategy, together with a deep learning algorithm, was proposed to control the false discovery rate in protein function annotation, and its performances were systematically compared with that of the traditional similarity-based and de novo approaches. Expand
  • 23
  • 2
  • PDF
Determining the Balance Between Drug Efficacy and Safety by the Network and Biological System Profile of Its Therapeutic Target
TLDR
In this study, the collective effects of human protein–protein interaction (PPI) network and biological system profile on the drugs' efficacy–safety balance were systematically evaluated. Expand
  • 15
  • 2
...
1
2
3
4
5
...