Publications

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2015

First experience with particle-in-cell plasma physics code on ARM-based HPC systems

Journal of Physics: Conference Series

X. Sáez, A. Soba, E. Sánchez, M. J. Mantsinen, S. Mateo, J M. Cela, and F. Castejón
Plasma Physics Code Contribution to the Mont-Blanc Project

Book of abstracts of the 2nd BSC International Doctoral Symposium

X. Sáez, A. Soba, and M. J. Mantsinen
Performance analysis of a particle-in-cell plasma physics code on homogeneous and heterogeneous HPC systems

Proceedings of Congress on Numerical Methods in Engineering

X. Sáez, A. Soba, E. Sánchez, M. J. Mantsinen, and J M. Cela
Can A Denaturant Stabilize DNA? Pyridine Reverses DNA Denaturation in Acidic pH.

Angewandte Chemie International Edition

G. Portella, M. Terrazas, N. Villegas, C. González, and M. Orozco
Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study

Journal of the American Chemical Society

R. Collepardo-Guevara, G. Portella, M. Vendruscolo, D. Frenkel, T. Schlick, and M. Orozco
Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions

PLoS One

S. Signorelli, P. D. Dans, L. E Coitiño, O. Borsani, and J. Monza
Molecular dynamics simulations: advances and applications.

Advances and Applications in Bioinformatics and Chemistry

A. Hospital, J. Ramon Goñi, M. Orozco, and J L. Gelpí
Molecular dynamics study of naturally existing cavity couplings in proteins.

PLoS One

M. Barbany, T. Meyer, A. Hospital, I. Faustino, M. D'Abramo, J. Morata, M. Orozco, and X. de la Cruz
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase

Angewandte Chemie International Edition

D. Albesa-Jové, F. Mendoza, A. Rodrigo-Unzueta, F. Gomollón-Bel, J. O. Cifuente, S. Urresti, N. Comino, H. Gomez, J. Romero-García, J. M. Lluch, E. Sancho-Vaello, X. Biarnés, A. Planas, P. Merino, L. Masgrau, and M. E. Guerin
PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems

Journal of Chemical Theory and Computation

A. Emperador, P. Sfriso, M. Ariel Villarreal, J L. Gelpí, and M. Orozco

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