Publications

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2015

Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor

ChemMedChem

N. Bayó-Puxan, R. Rodríguez-Mias, M. Goldflam, M. Kotev, S. Ciudad, C. J. Hipolito, M. Varese, H. Suga, R. Campos-Olivas, X. Barril, V. Guallar, M. Teixidó, J. García, and E. Giralt
New Monte Carlo Based Technique To Study DNA–Ligand Interactions

Journal of Chemical Theory and Computation

I. Cabeza de Vaca, M F. Lucas, and V. Guallar
Porphyrin Binding to Gun4 Protein, Facilitated by a Flexible Loop, Controls Metabolite Flow through the Chlorophyll Biosynthetic Pathway

The Journal of Biological Chemistry

J. Kopečná, I. Cabeza de Vaca, N. B. P. Adams, P. A. Davison, A. A. Brindley, N. C. Hunter, V. Guallar, and R. Sobotka
Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints

Structure

K. Edman, A. Hosseini, M. K. Bjursell, A. Aagaard, L. Wissler, A. Gunnarsson, T. Kaminski, C. Köhler, S. Bäckström, T. J. Jensen, A. Cavallin, U. Karlsson, E. Nilsson, D. Lecina, R. Takahashi, C. Grebner, S. Geschwindner, M. Lepistö, A. C. Hogner, and V. Guallar
A theoretical multiscale treatment of protein–protein electron transfer: The ferredoxin/ferredoxin-NADP+ reductase and flavodoxin/ferredoxin-NADP+ reductase systems

Biochimica et Biophysica Acta (BBA) - Bioenergetics

S. Saen-oon, I. Cabeza de Vaca, D. Masone, M. Medina, and V. Guallar
Analysis of the potential of ICRF waves to heat bulk ions in DEMO

42nd EPS Conference on Plasmas Physics, Lisbon, Portugal, Europhysics Conference Abstracts

D. Gallart, M. J. Mantsinen, and Y. Kazakov
Modelling of ICRF heating in DEMO with special emphasis on bulk ion heating

RADIO FREQUENCY POWER IN PLASMAS: Proceedings of the 21st Topical Conference

D. Gallart, M. J. Mantsinen, and Y. Kazakov
Exploring Dynamic Parallelism in OpenMP

Proceedings of the Second Workshop on Accelerator Programming Using Directives

G. Ozen, E. Ayguade, and J. Labarta
SSMART: Smart Scheduling of Multi-architecture Tasks on Heterogeneous Systems

Proceedings of the Second Workshop on Accelerator Programming Using Directives

J. Planas, R. M. Badia, E. Ayguade, and J. Labarta
Topological Characterization of Hamming and Dragonfly Networks and its Implications on Routing

ACM Transactions on Architecture and Code Optimization

C. Camarero, E. Vallejo, and R. Beivide

Pages