pH-dependent Conformational Flexibility of the SARS-CoV Main Proteinase (Mpro) Dimer: Molecular Dynamics Simulations and Multiple X-ray Structure Analyses

This publication has 38 references indexed in Scilit:

• Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases
  PLoS Biology, 2005
• Severe Acute Respiratory Syndrome Coronavirus 3C-like Proteinase N Terminus Is Indispensable for Proteolytic Activity but Not for Enzyme Dimerization
  Published by Elsevier ,2005
• XtalView/Xfit—A Versatile Program for Manipulating Atomic Coordinates and Electron Density
  Journal of Structural Biology, 1999
• Refinement of Macromolecular Structures by the Maximum-Likelihood Method
  Acta Crystallographica Section D-Biological Crystallography, 1997
• [20] Processing of X-ray diffraction data collected in oscillation mode
  Published by Elsevier ,1997
• SURFNET: A program for visualizing molecular surfaces, cavities, and intermolecular interactions
  Journal of Molecular Graphics, 1995
• GROMACS: A message-passing parallel molecular dynamics implementation
  Computer Physics Communications, 1995
• A molecular dynamics study of the decane/water interface
  The Journal of Physical Chemistry, 1993
• Molecular dynamics with coupling to an external bath
  The Journal of Chemical Physics, 1984
• Mercaptide—imidazolium ion‐pair: The reactive nucleophile in papain catalysis
  FEBS Letters, 1974