Abstract

This proposal presents theoretical approaches to some problems in neurophysiology. Electrostatic model and molecular dynamics calculations descriptive of the process of ion permeation through membrane channels are proposed. The electrostatic model is used to calculate the effect that pore structure, charge distributions at either the watermembrane interface or within the pore former, and electrolyte composition have on the electrostatic energy profile and on the electric field generated by a transmembrane potential. The molecular dynamics calculations focus on local structural features that might effect channel selectivity. The results of these calculations will be used to refine and to test the models used to portray biological channels.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
5R01GM028643-10
Application #
3275884
Study Section
Physiology Study Section (PHY)
Project Start
1981-01-01
Project End
1991-12-31
Budget Start
1990-01-01
Budget End
1990-12-31
Support Year
10
Fiscal Year
1990
Total Cost
Indirect Cost

  Institution

Name
Brandeis University
Department
Type
Schools of Arts and Sciences
DUNS #
616845814
City
Waltham
State
MA
Country
United States
Zip Code
02454

  Publications

Miloshevsky, Gennady V; Hassanein, Ahmed; Jordan, Peter C (2010) Shape-Dependent Global Deformation Modes of Large Protein Structures. J Mol Struct 972:41-50
Miloshevsky, Gennady V; Hassanein, Ahmed; Jordan, Peter C (2010) Antiport mechanism for Cl(-)/H(+) in ClC-ec1 from normal-mode analysis. Biophys J 98:999-1008
Miloshevsky, Gennady V; Hassanein, Ahmed; Partenskii, Michael B et al. (2010) Electroelastic coupling between membrane surface fluctuations and membrane-embedded charges: continuum multidielectric treatment. J Chem Phys 132:234707
Partenskii, Michael B; Jordan, Peter C (2009) ""Squishy capacitor"" model for electrical double layers and the stability of charged interfaces. Phys Rev E Stat Nonlin Soft Matter Phys 80:011112
Miloshevsky, Gennady V; Jordan, Peter C (2008) Conformational changes in the selectivity filter of the open-state KcsA channel: an energy minimization study. Biophys J 95:3239-51
Partenskii, Michael B; Jordan, Peter C (2008) Limitations and strengths of uniformly charged double-layer theory: physical significance of capacitance anomalies. Phys Rev E Stat Nonlin Soft Matter Phys 77:061117
Miloshevsky, Gennady V; Jordan, Peter C (2007) Open-state conformation of the KcsA K+ channel: Monte Carlo normal mode following simulations. Structure 15:1654-62
Jordan, Peter C (2007) Tuning a potassium channel--the caress of the surroundings. Biophys J 93:1091-2
Miloshevsky, Gennady V; Jordan, Peter C (2006) The open state gating mechanism of gramicidin a requires relative opposed monomer rotation and simultaneous lateral displacement. Structure 14:1241-9
Miloshevsky, Gennady V; Jordan, Peter C (2005) Permeation and gating in proteins: kinetic Monte Carlo reaction path following. J Chem Phys 122:214901

Showing the most recent 10 out of 38 publications