Publications
Group Members
News
Contact us
Software
User login
Username:
*
Password:
*
Request new password
Recent blog posts
Group Seminar and Journal Club 2017 - NEW!
Group Seminar and Journal Club 2016 - NEW!
Group Seminars and Journal Clubs - 2016
Installing PyMol from MacPorts
How to calculate ROC curves
MIPGen
Small Molecule Dihedrals Parametrization
Gaussian 09 and Antechamber12
Organic solvent boxes
Parametrize new ligands for AMBER and CHARMM
more
Home
Publications
List
Filter
Export 6 results:
Tagged
XML
BibTex
Sort by:
Author
Title
Type
[
Year
]
Filters:
Keyword
is
DNA/chemistry;
[Clear All Filters]
1998
Luisi, B
,
Orozco M
,
Sponer J
,
Luque FJ
,
Shakked Z
. 1998.
On the potential role of the amino nitrogen atom as a hydrogen bond acceptor in macromolecules
.
Journal of Molecular Biology. 279(5):1123-1136.
Abstract
Tagged
XML
BibTex
Google Scholar
2005
Perez, A
,
Sponer J
,
Jurecka P
,
Hobza P
,
Luque FJ
,
Orozco M
. 2005.
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study
Chemistry (Weinheim an der Bergstrasse, Germany). 11(17):5062-5066.
Abstract
Tagged
XML
BibTex
Google Scholar
Rueda, M
,
Luque FJ
,
Orozco M
. 2005.
Nature of minor-groove binders-DNA complexes in the gas phase
.
Journal of the American Chemical Society. 127(33):11690-11698.
Abstract
Tagged
XML
BibTex
Google Scholar
Marco, E
,
Negri A
,
Luque FJ
,
Gago F
. 2005.
Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations
.
Nucleic acids research. 33(19):6214-6224.
Abstract
Tagged
XML
BibTex
Google Scholar
2008
Vazquez-Mayagoita, A
,
Huertas O
,
Fuentes-Cabrera M
,
Sumpter BG
,
Orozco M
,
Luque FJ
. 2008.
Ab initio study of naphtho-homologated DNA bases
.
The journal of physical chemistry.B. 112(7):2179-2186.
Abstract
Tagged
XML
BibTex
Google Scholar
2009
Noy, A
,
Soteras I
,
Luque FJ
,
Orozco M
. 2009.
The impact of monovalent ion force field model in nucleic acids simulations
.
Physical chemistry chemical physics : PCCP. 11(45):10596-10607.
Abstract
Tagged
XML
BibTex
Google Scholar