Free Energy Profiles for H+ Conduction along Hydrogen-Bonded Chains of Water Molecules

This publication has 29 references indexed in Scilit:

• All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
  The Journal of Physical Chemistry B, 1998
• Theoretical Study of H⁺Translocation along a Model Proton Wire
  The Journal of Physical Chemistry, 1996
• The calculation of the potential of mean force using computer simulations
  Computer Physics Communications, 1995
• Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water
  The Journal of Physical Chemistry, 1995
• Interruption of the Water Chain in the Reaction Center from Rhodobacter sphaeroides Reduces the Rates of the Proton Uptake and of the Second Electron Transfer to QB
  Biochemistry, 1995
• Proton flux mechanisms in model and biological membranes
  The Journal of Membrane Biology, 1989
• Comparison of simple potential functions for simulating liquid water
  The Journal of Chemical Physics, 1983
• CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
  Journal of Computational Chemistry, 1983
• Hydrogen bonded chain mechanisms for proton conduction and proton pumping
  The Journal of Membrane Biology, 1983
• Dynamics and ensemble averages for the polarization models of molecular interactions
  The Journal of Chemical Physics, 1979