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Book chapters - Computational Biochemistry

López García de Lomana A, Gómez-Garrido A, Sportouch D, Villà-Freixa, J. Optimal Experimental Design in the Modelling of Pattern Formation2008. LNCS 5101:610-19.

2008

Book chapters - Computational Biochemistry

Truhlar DG, Gao J, Ma S, Lin H, Villà-Freixa, J. Computational Chemistry in Biology. In: Wiley Encilopedia in Chemical Biology 2008.

2008

Original articles in indexed journals - Computational Biochemistry - Computational Biophysics

de Fabritiis G, Villa-Freixa J, Coveney PV. Multiscale modelling of permeation through membrane channels using pregenerated molecular dynamics trajectories. Int J Mod Phys C, 2007; 20(19): 1-9

2007

Other - Computational Biochemistry

STEP Consortium. Seeding the Euro Physiome: A Roadmap to the Virtual Physiological Human. [Online] 2007, editor and expert.

2007

Book chapters - Computational Biochemistry - Computational Biophysics

Harvey M, Giupponi G, Villa-Freixa J, de Fabritiis G. PS3GRID.NET: Building a distributed supercomputer using the Playstation 3, Distributed & Grid Computing - Science Made Transparent for Everyone. Principles, Applications and Supporting Communities, 2007.

2007

Other - Computational Biochemistry - Computational Biophysics

Charlot M, de Fabritiis G, Lomana AL, Gomez-Garrido A, Groen D, Guylas L, Hoekstra A, Johnston M, Kampis G, Zwart SP, Robinson S, Strathern M, Swain M, Szemes G, Villa-Freixa J .
The QosCosGrid project: Quasi-Opportunistic Supercomputing for Complex Systems Simulations. Description of a general framework from different types of applications. In: Proceedings of Ibergrid conference. Centro de Supercomputación de Galicia, 2007

2007

Original articles in indexed journals - Computational Biochemistry

Johnston MA, Villa-Freixa J. Enabling Data Sharing and Collaboration in Complex Systems Applications. Bioinformatics, 2007; 124-40

2007

PhD Thesis - Integrative Biomedical Informatics - Computational Biochemistry

Barbany, M. Three-dimensional similarity of molecules with biological interest on the basis of molecular interaction potentials. Universitat Pompeu Fabra. Directors: Villà i Freixa J, Sanz F. 2006

2006

Original articles in indexed journals - Computational Biochemistry

Bonet J, Caltabiano G, Khan AK, Johnston MA, Corbí C, Gomez A, Rovira X, Teyra J; Villa-Freixa J. The Role of Residue Stability in Transient Protein-Protein Interactions involved in Enzymatic Phosphate Hydrolysis. A computational Study. Proteins, 2006; 63: 65–77. PMID: 16374872 . DOI: 10.1002/prot.20791.

2006

Original articles in indexed journals - Computational Biochemistry

Johnston MA, Fernandez-Galvan I, Villa-Freixa J. Framework-based design of a new all-purpose molecular simulation application: The Adun Simulator. J Comput Chem, 2005; 26 (15): 1647-59. PMID: 16175583 . DOI: 10.1002/jcc.20312.

2005



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