@article{Ngo2014,
  title = {Is the G-Quadruplex an Effective Nanoconductor for Ions?},
  author = {a Ngo, Van and Felice, Rosa Di and Haas, Stephan},
  year = {2014},
  month = jan,
  journal = {The journal of physical chemistry. B},
  eprint = {24397412},
  eprinttype = {pubmed},
  issn = {1520-5207},
  doi = {10.1021/jp408071h},
  abstract = {We use a stepwise pulling protocol in molecular dynamics simulations to identify how a G-quadruplex selects and conducts Na(+), K(+), and NH4(+) ions. By estimating the minimum free-energy changes of the ions along the central channel via Jarzynski's equality, we find that the G-quadruplex selectively binds the ionic species in the following order: K(+) {\textquestiondown} Na(+) {\textquestiondown} NH4(+). This order implies that K(+) optimally fits the channel. However, the features of the free-energy profiles indicate that the channel conducts Na(+) best. These findings are in fair agreement with experiments on G-quadruplexes and reveal a profoundly different behavior from the prototype potassium-ion channel KcsA, which selects and conducts the same ionic species. We further show that the channel can also conduct a single file of water molecules and deform to leak water molecules. We propose a range for the conductance of the G-quadruplex.},
  pmid = {24397412},
  keywords = {\#nosource}
}

{"_id":"ZLFZYfq36gokoQwtf","bibbaseid":"ango-felice-haas-isthegquadruplexaneffectivenanoconductorforions-2014","author_short":["a Ngo, V.","Felice, R. D.","Haas, S."],"bibdata":{"bibtype":"article","type":"article","title":"Is the G-Quadruplex an Effective Nanoconductor for Ions?","author":[{"propositions":["a"],"lastnames":["Ngo"],"firstnames":["Van"],"suffixes":[]},{"propositions":[],"lastnames":["Felice"],"firstnames":["Rosa","Di"],"suffixes":[]},{"propositions":[],"lastnames":["Haas"],"firstnames":["Stephan"],"suffixes":[]}],"year":"2014","month":"January","journal":"The journal of physical chemistry. B","eprint":"24397412","eprinttype":"pubmed","issn":"1520-5207","doi":"10.1021/jp408071h","abstract":"We use a stepwise pulling protocol in molecular dynamics simulations to identify how a G-quadruplex selects and conducts Na(+), K(+), and NH4(+) ions. By estimating the minimum free-energy changes of the ions along the central channel via Jarzynski's equality, we find that the G-quadruplex selectively binds the ionic species in the following order: K(+) ¿ Na(+) ¿ NH4(+). This order implies that K(+) optimally fits the channel. However, the features of the free-energy profiles indicate that the channel conducts Na(+) best. These findings are in fair agreement with experiments on G-quadruplexes and reveal a profoundly different behavior from the prototype potassium-ion channel KcsA, which selects and conducts the same ionic species. We further show that the channel can also conduct a single file of water molecules and deform to leak water molecules. We propose a range for the conductance of the G-quadruplex.","pmid":"24397412","keywords":"#nosource","bibtex":"@article{Ngo2014,\n title = {Is the G-Quadruplex an Effective Nanoconductor for Ions?},\n author = {a Ngo, Van and Felice, Rosa Di and Haas, Stephan},\n year = {2014},\n month = jan,\n journal = {The journal of physical chemistry. B},\n eprint = {24397412},\n eprinttype = {pubmed},\n issn = {1520-5207},\n doi = {10.1021/jp408071h},\n abstract = {We use a stepwise pulling protocol in molecular dynamics simulations to identify how a G-quadruplex selects and conducts Na(+), K(+), and NH4(+) ions. By estimating the minimum free-energy changes of the ions along the central channel via Jarzynski's equality, we find that the G-quadruplex selectively binds the ionic species in the following order: K(+) {\\textquestiondown} Na(+) {\\textquestiondown} NH4(+). This order implies that K(+) optimally fits the channel. However, the features of the free-energy profiles indicate that the channel conducts Na(+) best. These findings are in fair agreement with experiments on G-quadruplexes and reveal a profoundly different behavior from the prototype potassium-ion channel KcsA, which selects and conducts the same ionic species. We further show that the channel can also conduct a single file of water molecules and deform to leak water molecules. We propose a range for the conductance of the G-quadruplex.},\n pmid = {24397412},\n keywords = {\\#nosource}\n}\n\n","author_short":["a Ngo, V.","Felice, R. D.","Haas, S."],"key":"Ngo2014","id":"Ngo2014","bibbaseid":"ango-felice-haas-isthegquadruplexaneffectivenanoconductorforions-2014","role":"author","urls":{},"keyword":["#nosource"],"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/f/F7MP3WMbDyMbtFCC8/My Library.bib","dataSources":["4i5C7S78DvJNsaHyg"],"keywords":["#nosource"],"search_terms":["quadruplex","effective","nanoconductor","ions","a ngo","felice","haas"],"title":"Is the G-Quadruplex an Effective Nanoconductor for Ions?","year":2014}