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Results 41 - 50 of about 87

Other - Computational Science

Dainese E, De Fabritiis G, Sabatucci A, Oddi S, Angelucci CB, Pancrazio CD, Giorgino T, Stanley N, Carlo MD, Cravatt B, Maccarrone M. Key role for membrane lipids in orchestrating the endocannabinoid hydrolase (FAAH) function and subcellular localization. FEBS Journal, 2013; 280, 135-135; 1 SI DOI: WOS:000325919200419.

2013

Other - Computational Science

De Fabritiis, G. Binding assays by computer simulations: Capabilities, accuracy, and precision. Abstracts of papers of the American Chemical Society, 2013; 245

2013

Reviews in indexed journals - PharmacoInformatics - Computational Science - GPCR Drug Discovery

Sadiq SK, Guixà-González R, Dainese E, Pastor M, De Fabritiis G, Selent J. Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs. Curr Med Chem, 2013. 20(1):22-38. . PMID: 23151000 .

2013

Original articles in indexed journals - Computational Science

Sadiq SK, Noé F, De Fabritiis G. Kinetic characterization of the critical step in HIV-1 protease maturation. Proc Natl Acad Sci U S A, 2012; 109; 50: 20449-20454. PMID: 23184967 . DOI: 10.1073/pnas.1210983109.

2012

Original articles in indexed journals - Computational Science

Harvey MJ, De Fabritiis G. High-throughput molecular dynamics: The powerful new tool for drug discovery. Drug Discovery Today, 2012; 17(19-20):1059-62. PMID: 22504137 . DOI: 10.1016/j.drudis.2012.03.017.

2012

Original articles in indexed journals - Computational Science

Harvey MJ, De Fabritiis G. A Survey of Computational Molecular Science using Graphics Processing Units. WIREs Comput Mol Sci, 2012; 2: 734-742 DOI: 10.1002/wcms.1101.

2012

Original articles in indexed journals - PharmacoInformatics - Computational Science - GPCR Drug Discovery

Bruno A, Costantino G, de Fabritiis G, Pastor M, Selent J. Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR. PLoS One. 2012;7(8):e42023 . PMID: 22870276 . DOI: 10.1371/journal.pone.0042023.

2012

Original articles in indexed journals - Computational Science

Wright DW, Sadiq SK, De Fabritiis G, Coveney PV. Thumbs down for HIV: Domain level rearrangements do occur in the NNRTI bound HIV-1 Reverse Transcriptase. J Am Chem Soc, 2012; 134; 31: 12885-12888 . PMID: 22827470 . DOI: 10.1021/ja301565k.

2012

PhD Thesis - Computational Science

Buch I. Investigation of protein-ligand interactions using high-throughput all-atom molecular dynamics simulations. Universitat Pompeu Fabra. Director: Gianni de Fabritiis. June, 29 2012

2012

Original articles in indexed journals - Computational Science

Giorgino T, Buch I, De Fabritiis G. Visualizing the Induced Binding of SH2-Phosphopeptide. J Chem Theory Comput, 2012; 8  (4): 1171-1175 DOI: 10.1021/ct300003f.

2012



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