Bioinformática Estructural, Modelado y Mecanismos Biológicos
Model3DBio
IRB Barcelona - Institute for Research in Biomedicine
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de IRB Barcelona - Institute for Research in Biomedicine (14)
2019
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L amino acid transporter structure and molecular bases for the asymmetry of substrate interaction
Nature Communications, Vol. 10, Núm. 1
2014
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Structural bases for the interaction and stabilization of the human amino acid transporter LAT2 with its ancillary protein 4F2hc
Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, Núm. 8, pp. 2966-2971
2013
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Efficient relaxation of protein-protein interfaces by discrete molecular dynamics simulations
Journal of Chemical Theory and Computation, Vol. 9, Núm. 2, pp. 1222-1229
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The scoring of poses in protein-protein docking: Current capabilities and future directions
BMC Bioinformatics, Vol. 14, Núm. 1
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Validated conformational ensembles are key for the successful prediction of protein complexes
Journal of Chemical Theory and Computation, Vol. 9, Núm. 3, pp. 1830-1837
2009
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Pushing structural information into the yeast interactome by high-throughput protein docking experiments
PLoS Computational Biology, Vol. 5, Núm. 8
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Structural characterization of unphosphorylated STAT5a oligomerization equilibrium in solution by small-angle X-ray scattering
Protein Science, Vol. 18, Núm. 4, pp. 716-726
2007
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PyDock: Electrostatics and desolvation for effective scoring of rigid-body protein-protein docking
Proteins: Structure, Function and Genetics, Vol. 68, Núm. 2, pp. 503-515
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The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane
Journal of Biological Chemistry, Vol. 282, Núm. 43, pp. 31444-31452
2006
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Cell biology: Brief encounters bolster contacts
Nature
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Data mining of molecular dynamics trajectories of nucleic acids
Journal of Biomolecular Structure and Dynamics, Vol. 23, Núm. 4, pp. 447-455
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New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: Analysis by SARs and computational docking
Journal of Medicinal Chemistry, Vol. 49, Núm. 21, pp. 6197-6208
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The crystal structure of the BAR domain from human Bin1/amphiphysin II and its implications for molecular recognition
Biochemistry, Vol. 45, Núm. 43, pp. 12917-12928
2005
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Improving CAPRI predictions: Optimized desolvation for rigid-body docking
Proteins: Structure, Function and Genetics