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Original articles in indexed journals - Computational Biophysics

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 Biochemistry - Computational Biophysics

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 Biophysics

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 Biophysics

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 Biophysics

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 Biophysics

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 Biophysics

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 Biophysics

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 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

Original articles in indexed journals - Computational Biophysics

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



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