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Original articles in indexed journals - Computational Biophysics

Sadiq SK, de Fabritiis G. Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closing. Proteins 2010; 78(14): 2873-2885. PMID: 20715057 . DOI: 10.1002/prot.22806.

2010

PhD Thesis - Computational Biochemistry

Lopez A. Computational Approaches to the Modelling of Topological and Dynamical Aspects of Biochemical Networks. Universitat Pompeu Fabra. Director: Villa-Freixa J. October 2010

2010

Reviews in indexed journals - Systems Pharmacology

Garcia-Serna R, Mestres J. Anticipating drug side effects by comparative pharmacology. Expert Opin Drug Met, 2010; 6: 1253-1263.. PMID: 20662552 . DOI: 10.1517/17425255.2010.509343.

2010

Original articles in indexed journals - Integrative Biomedical Informatics

Bauer-Mehren A, Rautschka M, Sanz F, Furlong LI. DisGeNET: a Cytoscape plugin to visualize, integrate, search and analyze gene-disease networks. Bioinformatics 2010,  26(22):2924-6. PMID: 20861032 . DOI: 10.1093/bioinformatics/btq538.

2010

Original articles in indexed journals - PharmacoInformatics - GPCR Drug Discovery

Novensa L, Selent J, Pastor M, Sandberg K, Heras M, Dantas P. Equine Estrogens Impair Nitric Oxide Production and Endothelial Nitric Oxide Synthase Transcription in Human Endothelial Cells Compared With the Natural 17{beta}-Estradiol. Hypertension, 2010. 56 (3); 405-U140 . PMID: 20606108 . DOI: 10.1161/HYPERTENSIONAHA.110.151969.

2010

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - GPCR Drug Discovery

Lopez-Muñoz L, Selent J, Ortega R, Masaguer CF, Domínguez E, Areias F, Brea J, Loza MI, Sanz F, Pastor M. Synthesis, 3D-QSAR, and Structural Modeling of Benzolactam Derivatives with Binding Affinity for the D(2) and D(3) Receptors. ChemMedChem 2010; 5(8): 1300-1317. . PMID: 20544783 . DOI: 10.1002/cmdc.201000101.

2010

Original articles in indexed journals - Computational Biophysics

Giorgino T, Harvey M, de Fabritiis G. Distributed computing as a virtual supercomputer: tools to run and manage large-scale BOINC simulations. Comput Phys Commun, 2010; 181 (8): 1402-1409 DOI: 10.1016/j.cpc.2010.04.007.

2010

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - Computational Biophysics - GPCR Drug Discovery

Selent J, Sanz F, Pastor M, de Fabritiis G. Induced effects of sodium ions on dopaminergic G-protein coupled receptors. PLoS Comput Biol 2010; 6(8): e1000884. . PMID: 20711351 . DOI: 10.1371/journal.pcbi.1000884.

2010

Other - Systems Pharmacology

Vidal D, Mestres J. In silico receptorome screening of antipsychotic drugs. Mol Inform, 2010; 29; 6-7; 543-551 DOI: 10.1002/minf.201000055.

2010

Original articles in indexed journals - Computational Biochemistry

Rue P, Villa-Freixa J, Burrage K. Simulation methods with extended stability for stiff biochemical Kinetics. BMC Syst Biol, 2010; 4: 110. PMID: 20701766 . DOI: 10.1186/1752-0509-4-110.

2010



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