Publications

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2013

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
pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring.

Bioinformatics (Oxford, England)

B. Jiménez-García, C. Pons, and J. Fernández-Recio
Efficient relaxation of protein-protein interfaces by discrete molecular dynamics simulations

Journal of Chemical Theory and Computation

A. Emperador, A. Solernou, P. Sfriso, C. Pons, J L. Gelpí, J. Fernández-Recio, and M. Orozco
SwarmDock: a server for flexible protein-protein docking.

Bioinformatics (Oxford, England)

M. Torchala, I. H. Moal, R. A. G. Chaleil, J. Fernández-Recio, and P. A. Bates

2012

H-bond network optimization in protein-protein complexes: are all-atom force field scores enough?

Proteins

D. Masone, I. Cabeza de Vaca, C. Pons, J. Fernández-Recio, and V. Guallar
Established and emerging trends in computational drug discovery in the structural genomics era.

Chemistry & biology

O. Taboureau, J. B. Baell, J. Fernández-Recio, and B. O. Villoutreix
Theory and simulation: complexity and emergence.

Current opinion in structural biology

J. Fernández-Recio, and C. Verma
A protein-RNA docking benchmark (II): extended set from experimental and homology modeling data.

Proteins

L. Pérez-Cano, B. Jiménez-García, and J. Fernández-Recio
Protein-protein docking and hot-spot prediction for drug discovery.

Current pharmaceutical design

S. Grosdidier, and J. Fernández-Recio

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