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The second Chinese glacier inventory: data, methods and results
The second Chinese glacier inventory was compiled based on 218 Landsat TM/ETM+ scenes acquired mainly during 2006-10. The widely used band ratio segmentation method was applied as the first step inExpand
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Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
TLDR
A comprehensive evaluation of popular molecular docking programs, based on an extensive dataset of 2002 protein-ligand complexes from the PDBbind database (version 2014). Expand
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The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations
Bisphenol A (BPA) can interact with nuclear receptors and affect the normal function of nuclear receptors in very low doses, which causes BPA to be one of the most controversial endocrine disruptors.Expand
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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
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Molecular basis of the interaction for an essential subunit PA-PB1 in influenza virus RNA polymerase: insights from molecular dynamics simulation and free energy calculation.
  • H. Liu, X. Yao
  • Biology, Medicine
  • Molecular pharmaceutics
  • 1 February 2010
The emergence of the extremely aggressive influenza recently has highlighted the urgent need for new effective treatments. The influenza RNA-dependent RNA polymerase (RdRp) heterotrimer including PA,Expand
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Xanthatin Promotes Apoptosis via Inhibiting Thioredoxin Reductase and Eliciting Oxidative Stress.
Xanthatin (XT), a naturally occurring sesquiterpene lactone presented in cocklebur ( Xanthium strumarium L.), is under development as a potential anticancer agent. Despite the promising anticancerExpand
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Probing the binding of scutellarin to human serum albumin by circular dichroism, fluorescence spectroscopy, FTIR, and molecular modeling method.
The binding of scutellarin with human serum albumin (HSA) was investigated at four temperatures, 296, 303, 310, and 318 K, by fluorescence, circular dichroism (CD), Fourier transform infraredExpand
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Studies on the binding of nevadensin to human serum albumin by molecular spectroscopy and modeling
Abstract The binding of nevadensin to human serum albumin (HSA) in aqueous solution was investigated for the first time by molecular spectroscopy and modeling at pH 7.4. SpectrophotometricExpand
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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
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Spectroscopic investigation on the binding of antineoplastic drug oxaliplatin to human serum albumin and molecular modeling.
This study was designed to examine the interaction of oxaliplatin with human serum albumin (HSA) under physiological conditions by using fluorescence, absorption, FT-IR and circular dichroism (CD)Expand
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