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2013

Parallel simulation of large population dynamics

ACM SIGSIM Conference on Principles of Advanced Discrete Simulation (PADS)

C. Montañola-Sales, J. Casanovas-García, J M.. Cela, B. S. S. Onggo, and A. Kaplan-Marcusan
“Long-range hazard assessment of volcanic ash dispersal for a Plinian eruptive scenario at Popocatépetl volcano (Mexico): implications for civil aviation safety

Bulletin of Volcanology

R. Bonasia, C. Scaini, L. Capra, M. Nathenson, L. Araña Salinas, C. Siebe, and A. Folch
Unveiling WARIS code, a parallel and multi-purpose FDM framework

Lecture Notes in Computational Science and Engineering

R. de la Cruz, M. Hanzich, A. Folch, G.. Houzeaux, and J M.. Cela
The scoring of poses in protein-protein docking: current capabilities and future directions.

BMC bioinformatics

I. H. Moal, M. Torchala, P. A. Bates, and J. Fernández-Recio
Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organization.

PLoS computational biology

R. Agius, M. Torchala, I. H. Moal, J. Fernández-Recio, and P. A. Bates
Conformational transitions in human translin enable nucleic acid binding.

Nucleic acids research

L. Pérez-Cano, E. Eliahoo, K. Lasker, H. J. Wolfson, F. Glaser, H. Manor, P. Bernadó, and J. Fernández-Recio
Expanding the frontiers of protein-protein modeling: from docking and scoring to binding affinity predictions and other challenges.

Proteins

C. Pallara, B. Jiménez-García, L. Pérez-Cano, M. Romero-Durana, A. Solernou, S. Grosdidier, C. Pons, I. H. Moal, and J. Fernández-Recio
Scoring functions for protein-protein interactions.

Current opinion in structural biology

I. H. Moal, R. Moretti, D. Baker, and J. Fernández-Recio
Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions.

Proteins

R. Moretti, S. J. Fleishman, R. Agius, M. Torchala, P. A. Bates, P. L. Kastritis, J. P. G. L. M. Rodrigues, M. Trellet, A. M. J. J. Bonvin, M. Cui, M. Rooman, D. Gillis, Y. Dehouck, I. Moal, M. Romero-Durana, L. Pérez-Cano, C. Pallara, B. Jimenez, J. Fernández-Recio, S. Flores, M. Pacella, K. Praneeth Kilambi, J. J. Gray, P. Popov, S. Grudinin, J. Esquivel-Rodríguez, D. Kihara, N. Zhao, D. Korkin, X. Zhu, O. N. A. Demerdash, J. C. Mitchell, E. Kanamori, Y. Tsuchiya, H. Nakamura, H. Lee, H. Park, C. Seok, J. Sarmiento, S. Liang, S. Teraguchi, D. M. Standley, H. Shimoyama, G. Terashi, M. Takeda-Shitaka, M. Iwadate, H. Umeyama, D. Beglov, D. R. Hall, D. Kozakov, S. Vajda, B. G. Pierce, H. Hwang, T. Vreven, Z. Weng, Y. Huang, H. Li, X. Yang, X. Ji, S. Liu, Y. Xiao, M. Zacharias, S. Qin, H-X. Zhou, S-Y. Huang, X. Zou, S. Velankar, J. Janin, S. J. Wodak, and D. Baker
Structural basis for Rab1 de-AMPylation by the Legionella pneumophila effector SidD.

PLoS pathogens

Y. Chen, I. Tascón, R. M. Neunuebel, C. Pallara, J. Brady, L. N. Kinch, J. Fernández-Recio, A. L. Rojas, M. P. Machner, and A. Hierro

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