Archivo de la etiqueta: ligand docking

Communication sent to the fourth workshop on New Trends of Computational Chemistry for Industry Applications organized by the Catalonian Reference Network on Theoretical and Computational Chemistry (XRQTC), 1-2 October, 2015:

The Spanish Supercomputing Network (RES), coordinated by the Barcelona Supercomputing Center (BSC), and the High Performace Computing Advisory Council, will held the 4th HPC Advisory Council Spain Conference and the 9th RES Users’Conference on 22nd & 23rd September 2015, in … Sigue leyendo →

Our communication to the 7th International Conference on cGMP received the Poster Award cGMP 2015 and was selected for oral presentation: Agulló L, Buch I, de Terán H, de Fabritis G, Garcia-Dorado D, Villà-Freixa J. Computational exploration of the binding … Sigue leyendo →

UVic-UCC International Workshop on Higher Education (section: Workshop on Biomedical Data Integration and Modeling in Translational Research), 9-12 June, 2015: Link to this particular section of the International Workshop.

Communication sent to the conference: Computing free energy across disciplines:from method development to applications, that has taken place on Münster (Germany), March 9-11, 2015. Poster: Agulló L, Buch I, de Terán H, de Fabritis G, Garcia-Dorado D, Villà-Freixa J. Binding … Sigue leyendo →

Oral presentation: Agulló L, Buch I, Guti​érrez-de-Terán H, de Fabritiis G, Garcia­-Dorado D, Villà­-Freixa J. Computational exploration of the binding mode of the heme-dependent activator YC-1 into the active catalytic site of soluble guanylate cyclase. F1000Posters 2014, 5:1447 (slides). Link … Sigue leyendo →