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
Publications
List
Filter
Export 256 results:
Tagged
XML
BibTex
Sort by:
Author
Title
Type
[
Year
]
1986
Montero, MT
,
Pouplana R
,
Valls O
,
Garcia S
. 1986.
On the binding of cinmetacin and indomethacin to human serum albumin
.
The Journal of pharmacy and pharmacology. 38(12):925-927.
Abstract
Tagged
XML
BibTex
Google Scholar
1987
Estelrich, J
,
Pouplana R
. 1987.
Measurement of a glycoprotein with blood group A activity by light scattering
.
Journal of Biochemical and Biophysical Methods. 14(3):119-126.
Abstract
Tagged
XML
BibTex
Google Scholar
Luque, FJ
,
Illas F
,
Pouplana R
. 1987.
On the mechanism of histamine H2 receptor activation
.
Molecular pharmacology. 32(4):557-563.
Abstract
Tagged
XML
BibTex
Google Scholar
Hernandez, J
,
Estelrich J
,
Pouplana R
. 1987.
Determination of the encapsulation efficiency in liposomes obtained by the 'extruder method'
.
Journal of microencapsulation. 4(4):315-320.
Abstract
Tagged
XML
BibTex
Google Scholar
1988
Girona, V
,
Pacareu C
,
Riera A
,
Pouplana R
,
Castillo M
,
Bolos J
. 1988.
Spectrophotometric determination of the stability of an ampicillin-dicloxacillin suspension
.
Journal of pharmaceutical and biomedical analysis. 6(1):23-28.
Abstract
Tagged
XML
BibTex
Google Scholar
Orozco, M
,
Luque FJ
. 1988.
POEMS: program for outliers elimination in multidimensional space
.
Computer applications in the biosciences : CABIOS. 4(3):381-385.
Abstract
Tagged
XML
BibTex
Google Scholar
1989
Luque, FJ
,
Illas F
,
Pouplana R
. 1989.
Structure-activity relationships of H2-receptor histamine antagonists based on quantum chemical methods
.
Progress in clinical and biological research. 291:373-376.
Tagged
XML
BibTex
Google Scholar
Orozco, M
,
Luque FJ
. 1989.
POEAMS: program for outliers elimination in 'anomalous' multidimensional space
.
Computer applications in the biosciences : CABIOS. 5(3):241-242.
Tagged
XML
BibTex
Google Scholar
1990
Orozco, M
,
Luque FJ
. 1990.
A practical procedure for the determination of electrostatic charges of large molecules
.
Journal of computer-aided molecular design. 4(4):411-426.
Abstract
Tagged
XML
BibTex
Google Scholar
1993
Ruiz, J
,
Lopez M
,
Mila J
,
Lozoya E
,
Lozano JJ
,
Pouplana R
. 1993.
QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues
.
Journal of computer-aided molecular design. 7(2):183-198.
Abstract
Tagged
XML
BibTex
Google Scholar
1994
van Gunsteren, WF
,
Luque FJ
,
Timms D
,
Torda AE
. 1994.
Molecular mechanics in biology: from structure to function, taking account of solvation
.
Annual Review of Biophysics and Biomolecular Structure. 23:847-863.
Tagged
XML
BibTex
Google Scholar
Gallego, J
,
Luque FJ
,
Orozco M
,
Burgos C
,
Alvarez-Builla J
,
Rodrigo MM
,
Gago F
. 1994.
DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions
.
Journal of medicinal chemistry. 37(11):1602-1609.
Abstract
Tagged
XML
BibTex
Google Scholar
Gallego, J
,
Luque FJ
,
Orozco M
,
Gago F
. 1994.
Binding of echinomycin to d(GCGC)2 and d(CCGG)2: distinct stacking interactions dictate the sequence-dependent formation of Hoogsteen base pairs
.
Journal of Biomolecular Structure & Dynamics. 12(1):111-129.
Abstract
Tagged
XML
BibTex
Google Scholar
1995
Alhambra, C
,
Luque FJ
,
Portugal J
,
Orozco M
. 1995.
Molecular dynamics study of the binding of elsamicin A to DNA
.
European journal of biochemistry / FEBS. 230(2):555-566.
Abstract
Tagged
XML
BibTex
Google Scholar
1996
Hernandez, B
,
Orozco M
,
Luque FJ
. 1996.
Tautomerism of xanthine and alloxanthine: a model for substrate recognition by xanthine oxidase
.
Journal of computer-aided molecular design. 10(6):535-544.
Abstract
Tagged
XML
BibTex
Google Scholar
1997
Orozco, M
,
Luque FJ
. 1997.
Computer-assisted drug design: current status and future trends
.
Methods and findings in experimental and clinical pharmacology. 19 Suppl A:33-35.
Tagged
XML
BibTex
Google Scholar
Hernandez, B
,
Orozco M
,
Luque FJ
. 1997.
Role of tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase
.
Journal of computer-aided molecular design. 11(2):153-162.
Abstract
Tagged
XML
BibTex
Google Scholar
Aleman, C
,
Roca R
,
Luque FJ
,
Orozco M
. 1997.
Helical preferences of alanine, glycine, and aminoisobutyric homopeptides
.
Proteins. 28(1):83-93.
Abstract
Tagged
XML
BibTex
Google Scholar
1998
Cubero, E
,
Luque FJ
,
Orozco M
. 1998.
Is polarization important in cation-pi interactions?
Proceedings of the National Academy of Sciences of the United States of America. 95(11):5976-5980.
Abstract
Tagged
XML
BibTex
Google Scholar
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
Barril, X
,
Aleman C
,
Orozco M
,
Luque FJ
. 1998.
Salt bridge interactions: stability of the ionic and neutral complexes in the gas phase, in solution, and in proteins
.
Proteins. 32(1):67-79.
Abstract
Tagged
XML
BibTex
Google Scholar
Garcia, GR
,
Bachi A
,
Eritja R
,
Luque FJ
,
Orozco M
. 1998.
Triple helix stabilization properties of oligonucleotides containing 8-amino-2'-deoxyguanosine
.
Bioorganic & medicinal chemistry letters. 8(21):3011-3016.
Abstract
Tagged
XML
BibTex
Google Scholar
1999
Luque, FJ
,
Barril X
,
Orozco M
. 1999.
Fractional description of free energies of solvation
.
Journal of computer-aided molecular design. 13(2):139-152.
Abstract
Tagged
XML
BibTex
Google Scholar
Pouplana, R
,
Perez C
,
Sanchez J
,
Lozano JJ
,
Puig-Parellada P
. 1999.
The structural and electronical factors that contribute affinity for the time-dependent inhibition of PGHS-1 by indomethacin, diclofenac and fenamates
.
Journal of computer-aided molecular design. 13(3):297-313.
Abstract
Tagged
XML
BibTex
Google Scholar
Soliva, R
,
Luque FJ
,
Orozco M
. 1999.
Can G-C Hoogsteen-wobble pairs contribute to the stability of d(G. C-C) triplexes?
Nucleic acids research. 27(11):2248-2255.
Abstract
Tagged
XML
BibTex
Google Scholar
1
2
3
4
5
6
7
8
9
…
next ›
last »