Publication
Erratum: Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein a-helix [Phys. Rev. B 82, 174308 (2010)]
| dc.contributor.author | Freedman, Holly | |
| dc.contributor.author | Martel, Paulo | |
| dc.contributor.author | Cruzeiro, Leonor | |
| dc.date.accessioned | 2014-03-05T15:13:47Z | |
| dc.date.available | 2014-03-05T15:13:47Z | |
| dc.date.issued | 2011-10-07 | |
| dc.date.updated | 2014-02-27T16:37:35Z | |
| dc.description.abstract | In the GROMACS codemodifications, instead of the nanometer unit for the distance that is standard in GROMACS, a unit of 1 °A was previously assumed. This led to dipole-dipole interactions between amide I vibrations at different sites and the interaction energies of the amide I vibration with the protein hydrogen bonds being overestimated, respectively, by three orders and by one order of magnitude. | por |
| dc.identifier.citation | Freedman, Holly; Martel, Paulo; Cruzeiro, Leonor. Erratum: Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein a-helix [Phys. Rev. B 82, 174308 (2010)], Physical Review B, 84, 13, 1-2, 2011. | por |
| dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.84.139902 | |
| dc.identifier.issn | 1098-0121 | |
| dc.identifier.other | AUT: PMA01479; LHA01632 | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/3574 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.publisher | American Physical Society | por |
| dc.relation.publisherversion | http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.139902 | por |
| dc.title | Erratum: Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein a-helix [Phys. Rev. B 82, 174308 (2010)] | por |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.issue | B 84 | por |
| oaire.citation.startPage | 139902 | por |
| oaire.citation.title | Physical Review B | por |
| person.familyName | Martel | |
| person.givenName | Paulo | |
| person.identifier | 1955829 | |
| person.identifier.ciencia-id | AD16-8C2A-26CE | |
| person.identifier.orcid | 0000-0001-8237-1267 | |
| person.identifier.rid | K-4704-2013 | |
| person.identifier.scopus-author-id | 7101625192 | |
| rcaap.rights | openAccess | por |
| rcaap.type | article | por |
| relation.isAuthorOfPublication | e70c3a99-3cde-4b3d-8ca2-4ac252906ae3 | |
| relation.isAuthorOfPublication.latestForDiscovery | e70c3a99-3cde-4b3d-8ca2-4ac252906ae3 |