Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization

Josef Melcr, Hector Martinez-Seara, Ricky Nencini, Jiri Kolafa, Pavel Jungwirth, O. H. Samuli Ollila

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Physical Chemistry B
Volume122
Issue number16
Pages (from-to)4546-4557
Number of pages12
ISSN1520-6106
DOIs
Publication statusPublished - 26 Apr 2018
MoE publication typeA1 Journal article-refereed

Fields of Science

  • MOLECULAR-DYNAMICS SIMULATIONS
  • CONCENTRATED AQUEOUS-SOLUTIONS
  • PHOSPHOLIPID HEAD GROUPS
  • LIPID-MEMBRANES
  • FORCE-FIELD
  • PHOSPHATIDYLCHOLINE BILAYERS
  • NEUTRON-SCATTERING
  • MAGNETIC-RESONANCE
  • ORDER PARAMETERS
  • IONIC LIQUIDS
  • 1182 Biochemistry, cell and molecular biology

Cite this

Melcr, Josef ; Martinez-Seara, Hector ; Nencini, Ricky ; Kolafa, Jiri ; Jungwirth, Pavel ; Ollila, O. H. Samuli. / Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization. In: Journal of Physical Chemistry B. 2018 ; Vol. 122, No. 16. pp. 4546-4557.
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keywords = "MOLECULAR-DYNAMICS SIMULATIONS, CONCENTRATED AQUEOUS-SOLUTIONS, PHOSPHOLIPID HEAD GROUPS, LIPID-MEMBRANES, FORCE-FIELD, PHOSPHATIDYLCHOLINE BILAYERS, NEUTRON-SCATTERING, MAGNETIC-RESONANCE, ORDER PARAMETERS, IONIC LIQUIDS, 1182 Biochemistry, cell and molecular biology",
author = "Josef Melcr and Hector Martinez-Seara and Ricky Nencini and Jiri Kolafa and Pavel Jungwirth and Ollila, {O. H. Samuli}",
year = "2018",
month = "4",
day = "26",
doi = "10.1021/acs.jpcb.7b12510",
language = "English",
volume = "122",
pages = "4546--4557",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society Journals",
number = "16",

}

Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization. / Melcr, Josef; Martinez-Seara, Hector; Nencini, Ricky; Kolafa, Jiri; Jungwirth, Pavel; Ollila, O. H. Samuli.

In: Journal of Physical Chemistry B, Vol. 122, No. 16, 26.04.2018, p. 4546-4557.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization

AU - Melcr, Josef

AU - Martinez-Seara, Hector

AU - Nencini, Ricky

AU - Kolafa, Jiri

AU - Jungwirth, Pavel

AU - Ollila, O. H. Samuli

PY - 2018/4/26

Y1 - 2018/4/26

KW - MOLECULAR-DYNAMICS SIMULATIONS

KW - CONCENTRATED AQUEOUS-SOLUTIONS

KW - PHOSPHOLIPID HEAD GROUPS

KW - LIPID-MEMBRANES

KW - FORCE-FIELD

KW - PHOSPHATIDYLCHOLINE BILAYERS

KW - NEUTRON-SCATTERING

KW - MAGNETIC-RESONANCE

KW - ORDER PARAMETERS

KW - IONIC LIQUIDS

KW - 1182 Biochemistry, cell and molecular biology

U2 - 10.1021/acs.jpcb.7b12510

DO - 10.1021/acs.jpcb.7b12510

M3 - Article

VL - 122

SP - 4546

EP - 4557

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 16

ER -