Simulation study of channels in biological membranes

D. Henderson, D. D. Busath, R. L. Rowley, P. S. Crozier, D. Boda

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The results of our recent studies of the selectivity of a calcium channel by means of a Monte Carlo simulation and of the conductance of ions in a model channel by means of a molecular dynamics simulation are reported. In our selectivity study we find that as a result of the charge and confined space within the channel, Ca ++ ions are preferred over Na + ions because of their ability to deliver twice the charge using about the same excluded volume. In our conductance study, the simulation is run in parallel for a total of 100 ns for each condition of concentration and applied potential. For a 1 M NaCl solution with SPC/E water using a moderate applied voltage, 12 Na + and no Cl - ions pass through the channel. The voltage drop across the channel and the conductance are reported.

Original languageEnglish
Title of host publication2001 International Conference on Computational Nanoscience - ICCN 2001
EditorsM. Laudon, B. Romanowicz
Pages45-48
Number of pages4
Publication statusPublished - 2001
Event2001 International Conference on Computational Nanoscience - ICCN 2001 - Hilton Head Island, SC, United States
Duration: Mar 19 2001Mar 21 2001

Other

Other2001 International Conference on Computational Nanoscience - ICCN 2001
CountryUnited States
CityHilton Head Island, SC
Period3/19/013/21/01

Fingerprint

Biological membranes
Ions
Molecular dynamics
Calcium
Computer simulation
Electric potential
Water

Keywords

  • Biomembranes
  • Conductance
  • Electrolytes
  • Ion channels
  • Selectivity
  • Simulations

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Henderson, D., Busath, D. D., Rowley, R. L., Crozier, P. S., & Boda, D. (2001). Simulation study of channels in biological membranes. In M. Laudon, & B. Romanowicz (Eds.), 2001 International Conference on Computational Nanoscience - ICCN 2001 (pp. 45-48)

Simulation study of channels in biological membranes. / Henderson, D.; Busath, D. D.; Rowley, R. L.; Crozier, P. S.; Boda, D.

2001 International Conference on Computational Nanoscience - ICCN 2001. ed. / M. Laudon; B. Romanowicz. 2001. p. 45-48.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Henderson, D, Busath, DD, Rowley, RL, Crozier, PS & Boda, D 2001, Simulation study of channels in biological membranes. in M Laudon & B Romanowicz (eds), 2001 International Conference on Computational Nanoscience - ICCN 2001. pp. 45-48, 2001 International Conference on Computational Nanoscience - ICCN 2001, Hilton Head Island, SC, United States, 3/19/01.
Henderson D, Busath DD, Rowley RL, Crozier PS, Boda D. Simulation study of channels in biological membranes. In Laudon M, Romanowicz B, editors, 2001 International Conference on Computational Nanoscience - ICCN 2001. 2001. p. 45-48
Henderson, D. ; Busath, D. D. ; Rowley, R. L. ; Crozier, P. S. ; Boda, D. / Simulation study of channels in biological membranes. 2001 International Conference on Computational Nanoscience - ICCN 2001. editor / M. Laudon ; B. Romanowicz. 2001. pp. 45-48
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