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Development of a multiscale modeling strategy to decipher how hybrid DNA/RNA triplexes and G-quadruplexes affect gene expression regulation

Publications

How accurate are accurate force-fields for B-DNA?

Author(s): Pablo D. Dans, Ivan Ivani, Adam Hospital, Guillem Portella, Carlos González, Modesto Orozco
Published in: Nucleic Acids Research, 2017, Page(s) gkw1355, ISSN 0305-1048
DOI: 10.1093/nar/gkw1355

The RNF168 paralog RNF169 defines a new class of ubiquitylated histone reader involved in the response to DNA damage

Author(s): Julianne Kitevski-LeBlanc, Amélie Fradet-Turcotte, Predrag Kukic, Marcus D Wilson, Guillem Portella, Tairan Yuwen, Stephanie Panier, Shili Duan, Marella D Canny, Hugo van Ingen, Cheryl H Arrowsmith, John L Rubinstein, Michele Vendruscolo, Daniel Durocher, Lewis E Kay
Published in: eLife, Issue 6, 2017, ISSN 2050-084X
DOI: 10.7554/eLife.23872

Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study

Author(s): Rosana Collepardo-Guevara, Guillem Portella, Michele Vendruscolo, Daan Frenkel, Tamar Schlick, Modesto Orozco
Published in: Journal of the American Chemical Society, Issue 137/32, 2015, Page(s) 10205-10215, ISSN 0002-7863
DOI: 10.1021/jacs.5b04086

Parmbsc1: a refined force field for DNA simulations

Author(s): Ivan Ivani, Pablo D Dans, Agnes Noy, Alberto Pérez, Ignacio Faustino, Adam Hospital, Jürgen Walther, Pau Andrio, Ramon Goñi, Alexandra Balaceanu, Guillem Portella, Federica Battistini, Josep Lluis Gelpí, Carlos González, Michele Vendruscolo, Charles A Laughton, Sarah A Harris, David A Case, Modesto Orozco
Published in: Nature Methods, 2015, ISSN 1548-7091
DOI: 10.1038/nmeth.3658