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Results 91 - 100 of about 110

Original articles in indexed journals - Computational Science

Harvey M, de Fabritiis G. An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware. J Chem Theory Comput 2009; 5(9): 2371-2377 DOI: 10.1021/ct900275y.

2009

Original articles in indexed journals - Computational Science

Giupponi G, Harvey M, De Fabritiis G. The impact of accelerator processors for high-throughput molecular modeling and simulation. Drug Discovery Today 13, 1052. PMID: 18762274 .

2008

Original articles in indexed journals - Computational Science

Harvey M, De Fabritiis G, Giupponi G. Accuracy of the Lattice Boltzmann method on the Cell processor, Phys. Rev. E 78, 056702 (2008). PMID: 19113232 .

2008

Original articles in indexed journals - Computational Biochemistry - Computational Science

de Fabritiis G, Coveney PV, VillĂ -Freixa, J.Energetics of K+ permeability through Gramicidin A by forward-reverse steered molecular dynamics.Proteins: Structure, Function and Bioinformatics 2008 Oct;73(1):185-94.

. PMID: 18412256 .

2008

Reviews in indexed journals - Computational Science

Delgado-Buscalioni R, Coveney PV, de Fabritiis G. Towards multiscale modelling of complex liquids, Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science 2008. 222;769 DOI: 10.1243/09544062JMES746.

2008

Original articles in indexed journals - Computational Science

De Fabritiis G, Geroult S, Coveney PV, Waksman G. Insights from the energetics of water binding at the domain-ligand interface of the Src SH2 domain. Proteins 2008. 72;1290. PMID: 18384045 . DOI: 10.1002/prot.22027.

2008

Reviews in indexed journals - Computational Science

Delgado-Buscalioni R, de Fabritiis G. Embedding molecular dynamics within fluctuating hydrodynamics in multiscale simulations of liquids, Phys 2007. Rev. E 76, 036709.. PMID: 17930363 . DOI: 10.1103/PhysRevE.76.036709.

2007

Original articles in indexed journals - Computational Science

de Fabritiis G. Performance of the Cell processor for biomolecular simulations. Comp Phys Commun 2007; 176(11): 660-4 DOI: 10.1016/j.cpc.2007.02.107.

2007

Original articles in indexed journals - Computational Science

Giupponi G, de Fabritiis G, Coveney PV. Hybrid method coupling fluctuating hydrodynamics and molecular dynamics for the simulation of macromolecules. J Chem Phys 2007; 126(15): 145903/1-9. PMID: 17461663 . DOI: 10.1063/1.2720385.

2007

Original articles in indexed journals - Computational Biochemistry - Computational Science

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



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