Journal article icon

Journal article

Not ions alone: barriers to ion permeation in nanopores and channels.

Abstract:

A hydrophobic pore of subnanometer dimensions can appear impermeable to an ion even though its radius is still much wider than that of the ion. Pores of molecular dimensions can be found, for instance, in carbon nanotubes, zeolites, or ion channel proteins. We quantify this barrier to ion permeation by calculating the potential of mean force from umbrella-sampled molecular dynamics simulations and compare them to continuum-electrostatic Poisson-Boltzmann calculations. The latter fail to descr...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1021/ja045271e
Journal:
Journal of the American Chemical Society More from this journal
Volume:
126
Issue:
45
Pages:
14694-14695
Publication date:
2004-11-01
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Language:
English
Pubs id:
pubs:100883
UUID:
uuid:fe52c086-4eec-4cd1-91a8-4ef8c35a7f93
Local pid:
pubs:100883
Source identifiers:
100883
Deposit date:
2012-12-19

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP