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 5 results:
Tagged
XML
BibTex
Sort by:
Author
Title
[
Type
]
Year
Filters:
Keyword
is
Thermodynamics;
[Clear All Filters]
Journal Article
Vazquez-Mayagoitia, A
,
Huertas O
,
Brancolini G
,
Migliore A
,
Sumpter BG
,
Orozco M
,
Luque FJ
,
Felice DR
,
Fuentes-Cabrera M
. 2009.
Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine
.
The journal of physical chemistry.B. 113(43):14465-14472.
Abstract
Tagged
XML
BibTex
Google Scholar
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
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
Barril, X
,
Orozco M
,
Luque FJ
. 1999.
Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase
.
Journal of medicinal chemistry. 42(25):5110-5119.
Abstract
Tagged
XML
BibTex
Google Scholar
Faustino, I
,
Avino A
,
Marchan I
,
Luque FJ
,
Eritja R
,
Orozco M
. 2009.
Unique tautomeric and recognition properties of thioketothymines?
Journal of the American Chemical Society. 131(35):12845-12853.
Abstract
Tagged
XML
BibTex
Google Scholar