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Results 71 - 80 of about 1109

Original articles in indexed journals - Computational Science

Doerr S, Giorgino T, Martínez G, Damas JM, de Fabritiis G. High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD. J Chem Theory Comput, 2017 . PMID: 28723224 . DOI: 10.1021/acs.jctc.7b00480.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Speeding up Early Drug Discovery in Antiviral Research: a Fragment Based In Silico Approach for the Design of Virtual Anti-Hepatitis C Leads. ACS Comb Sci 2017; 19(8): 501-512 . PMID: 28437091 . DOI: 10.1021/acscombsci.7b00039.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3):525. PMID: 28766255 . DOI: 10.1007/s11030-017-9766-3.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A1, Cordeiro MNDS. Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3): 511-523 . PMID: 28194627 . DOI: 10.1007/s11030-017-9731-1.

2017

Other - Functional Genomics

Gea J, Pascual S, Casals F, Casadevall C, Castro-Acosta A, Cordoba R, Hernandez C, Marquez E, Monton C, Torralba Y, Seijo L, Alvarez-Martinez C, Barbera J, Cosio BG, Lopez-Campos J, Monso E, Peces-Barba G, Agusti A, Castelo R. Gene Expression Profile In The Blood Of COPD Patients. Am J Respir Crit Care Med, 2017; 195: A6936. PMID: .

2017

Original articles in indexed journals - Integrative Biomedical Informatics

Perera G, Pedersen L, Ansel D, Alexander M, Arrighi HM, Avillach P, Foskett N, Gini R, Gordon MF, Gungabissoon U, Mayer MA, Novak G, Rijnbeek P, Trifirò G, van der Lei J, Visser PJ, Stewart R. Dementia prevalence and incidence in a federation of European Electronic Health Record databases-The European Medical Informatics Framework resource. Alzheimers Dement, 2017; S1552-5260 (17) 32523-2. . PMID: 28734783 . DOI: 10.1016/j.jalz.2017.06.2270.

2017

Book chapters - Systems Pharmacology

Antolín AA, Mestres J. The polypharmacology gap between chemical biology and drug discovery. In Computational Tools for Chemical Biology. S. Martín-Santamaría (Ed.), Royal Society of Chemistry: London, 2017, Vol. 3, pp. 349-370

2017

Book chapters - Integrative Biomedical Informatics

Sanz F. Data Integration and Sharing Supporting Drug R&D. In: Samuel Chackalamannil, David P Rotella and Simon E Ward, (eds.) Comprehensive Medicinal Chemistry III vol. 1, pp. 436-443. Oxford: Elsevier.  DOI: 10.1016/ B978-0-12-409547-2. 12297-8.

2017

Original articles in indexed journals - Structural Bioinformatics

Valls-Comamala V, Guivernau B, Bonet J, Puig M, Perálvarez-Marín A, Palomer E, Fernàndez-Busquets X, Altafaj X, Tajes M, Puig-Pijoan A, Vicente R, Oliva B, Muñoz FJ. The antigen-binding fragment of human gamma immunoglobulin prevents amyloid B-peptide folding into B-sheet to form oligomers. Oncotarget, 2017; 8; 25: 41154-41165. PMID: 28467807 . DOI: 10.18632/oncotarget.17074.

2017

Original articles in indexed journals - Computational Science

Jiménez J, Doerr S, Martínez-Rosell G, Rose AS, de Fabritiis G. DeepSite: Protein binding site predictor using 3D-convolutional neural networks. Bioinformatics, 2017 . PMID: 28575181 . DOI: 10.1093/bioinformatics/btx350.

2017



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