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Results 81 - 90 of about 93
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, Villà-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.
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
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
Original articles in indexed journals - Computational Science
Giupponi G, De Fabritiis G, Coveney PV, A coupled molecular-continuum hybrid model for the simulation of macromolecular dynamics, Int. J. Mod. Phys. C, 18, 520 (2007)
2007
Original articles in indexed journals - Computational Science
Lloyd S, Gavaghan D, Simpson A, Mascord M, Seneurine C, Williams G, Pitt-Francis J, Boyd D, Randal DM, Sastry L, Nagella S, Weeks K, Fowler R, Hanlon D, Handley J, De Fabritiis G, Integrative Biology: The Challenges of Developing a Collaborative Research Environment for Heart and Cancer Modelling, Future Generation Computer Systems, 23, 457-465 (2007) DOI: 10.1016/j.future.2006.07.002.
2007
