Guillem Portella
Guillem Portella
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Parmbsc1: a refined force field for DNA simulations
I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ...
Nature methods 13 (1), 55, 2016
3202016
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)
G Portella, J Poater, JM Bofill, P Alemany, M Sola
The Journal of organic chemistry 70 (7), 2509-2521, 2005
1872005
Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity
G Portella, J Poater, M Sola
Journal of physical organic chemistry 18 (8), 785-791, 2005
1462005
Molecular basis of substrate-induced permeation by an amino acid antiporter
L Kowalczyk, M Ratera, A Paladino, P Bartoccioni, E Errasti-Murugarren, ...
Proceedings of the National Academy of Sciences 108 (10), 3935-3940, 2011
1152011
Chromatin unfolding by epigenetic modifications explained by dramatic impairment of internucleosome interactions: a multiscale computational study
R Collepardo-Guevara, G Portella, M Vendruscolo, D Frenkel, T Schlick, ...
Journal of the American Chemical Society 137 (32), 10205-10215, 2015
802015
Time averaging of NMR chemical shifts in the MLF peptide in the solid state
ID Gortari, G Portella, X Salvatella, VS Bajaj, PCA van der Wel, JR Yates, ...
Journal of the American Chemical Society 132 (17), 5993-6000, 2010
672010
How accurate are accurate force-fields for B-DNA?
PD Dans, I Ivani, A Hospital, G Portella, C González, M Orozco
Nucleic acids research 45 (7), 4217-4230, 2017
612017
Dramatic effect of furanose C2′ substitution on structure and stability: directing the folding of the human telomeric quadruplex with a single fluorine atom
N Martín-Pintado, M Yahyaee-Anzahaee, GF Deleavey, G Portella, ...
Journal of the American Chemical Society 135 (14), 5344-5347, 2013
592013
Differential stability of 2′ F-ANA• RNA and ANA• RNA hybrid duplexes: Roles of structure, pseudohydrogen bonding, hydration, ion uptake and flexibility
JK Watts, N Martín-Pintado, I Gomez-Pinto, J Schwartzentruber, G Portella, ...
Nucleic acids research 38 (7), 2498-2511, 2010
592010
Structure of triplex DNA in the gas phase
A Arcella, G Portella, ML Ruiz, R Eritja, M Vilaseca, V Gabelica, M Orozco
Journal of the American Chemical Society 134 (15), 6596-6606, 2012
512012
Conformationally rigid nucleoside probes help understand the role of sugar pucker and nucleobase orientation in the thrombin-binding aptamer
H Saneyoshi, S Mazzini, A Avino, G Portella, C Gonzalez, M Orozco, ...
Nucleic acids research 37 (17), 5589-5601, 2009
412009
Understanding the connection between epigenetic DNA methylation and nucleosome positioning from computer simulations
G Portella, F Battistini, M Orozco
PLoS Comput Biol 9 (11), e1003354, 2013
402013
Mobility of a one-dimensional confined file of water molecules as a function of file length
SM Saparov, JR Pfeifer, L Al-Momani, G Portella, BL de Groot, U Koert, ...
Physical review letters 96 (14), 148101, 2006
382006
Backbone FC H⋅⋅⋅ O Hydrogen Bonds in 2′ F‐Substituted Nucleic Acids
N Martin‐Pintado, GF Deleavey, G Portella, R Campos‐Olivas, M Orozco, ...
Angewandte Chemie International Edition 52 (46), 12065-12068, 2013
372013
Determinants of water permeability through nanoscopic hydrophilic channels
G Portella, BL De Groot
Biophysical journal 96 (3), 925-938, 2009
352009
Nucleotide binding switches the information flow in ras GTPases
F Raimondi, G Portella, M Orozco, F Fanelli
PLoS Comput Biol 7 (3), e1001098, 2011
342011
Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length
G Portella, P Pohl, BL De Groot
Biophysical journal 92 (11), 3930-3937, 2007
342007
Multiple routes to characterize the folding of a small DNA hairpin
G Portella, M Orozco
Angewandte Chemie 122 (42), 7839-7842, 2010
332010
MD and NMR analyses of choline and TMA binding to duplex DNA: on the origins of aberrant sequence-dependent stability by alkyl cations in aqueous and water-free solvents
G Portella, MW Germann, NV Hud, M Orozco
Journal of the American Chemical Society 136 (8), 3075-3086, 2014
322014
5-Formylcytosine organizes nucleosomes and forms Schiff base interactions with histones in mouse embryonic stem cells
EA Raiber, G Portella, SM Cuesta, R Hardisty, P Murat, Z Li, M Iurlaro, ...
Nature chemistry 10 (12), 1258-1266, 2018
292018
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