Fangqiang Zhu

Summary

Affiliation: National Institutes of Health
Country: USA

Publications

  1. pmc Convergence and error estimation in free energy calculations using the weighted histogram analysis method
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892 0520, USA
    J Comput Chem 33:453-65. 2012
  2. pmc Pore opening and closing of a pentameric ligand-gated ion channel
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892 0520, USA
    Proc Natl Acad Sci U S A 107:19814-9. 2010
  3. pmc Gating transition of pentameric ligand-gated ion channels
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland, USA
    Biophys J 97:2456-63. 2009

Collaborators

Detail Information

Publications3

  1. pmc Convergence and error estimation in free energy calculations using the weighted histogram analysis method
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892 0520, USA
    J Comput Chem 33:453-65. 2012
    ..Together, the estimates of the statistical errors and the diagnostics of inconsistencies in the potentials of mean force provide a basis for the efficient allocation of computational resources in free energy simulations...
  2. pmc Pore opening and closing of a pentameric ligand-gated ion channel
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892 0520, USA
    Proc Natl Acad Sci U S A 107:19814-9. 2010
    ..The mechanical work of opening the pore is performed primarily on the M2-M3 loop. Strong interactions of this short and conserved loop with the extracellular domain are therefore crucial to couple ligand binding to channel opening...
  3. pmc Gating transition of pentameric ligand-gated ion channels
    Fangqiang Zhu
    Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland, USA
    Biophys J 97:2456-63. 2009
    ..In addition, helix M2 changes its bending state, which results in an early closure of the pore during the open-to-closed transition...