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Original articles in indexed journals - Computational Biophysics

Doerr S, Harvey MJ, Noé F, de Fabritiis G. HTMD: High-throughput molecular dynamics for molecular discovery. J Chem Theory Comput, 2016; 12 (4): 1845-1852 . PMID: 26949976 . DOI: 10.1021/acs.jctc.6b00049 APR 2016.

2016

Original articles in indexed journals - Structural Bioinformatics

Hill SM, Heiser LM, Cokelaer T, Unger M, Nesser NK, Carlin DE, Zhang Y, Sokolov A, Paull EO, Wong CK, Graim K, Bivol A, Wang H, Zhu F, Afsari B, Danilova LV, Favorov AV, Lee WS, Taylor D, Hu CW, Long BL, Noren DP, Bisberg AJ; HPN-DREAM Consortium, Mills GB, Gray JW, Kellen M, Norman T, Friend S, Qutub AA, Fertig EJ, Guan Y, Song M, Stuart JM, Spellman PT, Koeppl H, Stolovitzky G, Saez-Rodriguez J, Mukherjee S and The HPN-DREAM Consortium (including Anton B, Bonet J, García J, Oliva B, Planas J, Poglayen D. Inferring causal molecular networks: empirical assessment through a community-based effort. Nat Methods, 2016; 13(4): 310-318 . PMID: 26901648 . DOI: 10.1038/nmeth.3773.

2016

Original articles in indexed journals - Evolutionary Genomics

Vartia S, Villanueva-Cañas JL, Finarelli J, Farrell ED, Collins PC, Hughes GM, Carlsson JE, Gauthier DT, McGinnity P, Cross TF, FitzGerald RD, Mirimin L, Crispie F, Cotter PD, Carlsson J. A novel method of microsatellite genotyping-by-sequencing using individual combinatorial barcoding. R Soc Open Sci, 2016; 3(1): 150565 . PMID: 26909185 . DOI: 10.1098/rsos.150565. eCollection 2016.

2016

Original articles in indexed journals - Systems Pharmacology

Baumann K, Ecker GF, Mestres J, Schneider G. Molecular Informatics: From Models to Systems and Beyond. Mol Inf, 2016; 35 (1): 2-2 DOI: 10.1002/minf.201680133.

2016

Original articles in indexed journals - GPCR Drug Discovery

Martí-Solano M, Schmidt D, Kolb P, Selent J. Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry. Drug Discov Today, 2016; 21 (4): 625-631 . PMID: 26821135 . DOI: 10.1016/j.drudis.2016.01.009.

2016

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

Guixà-González R, Javanainen M, Gómez-Soler M, Cordobilla B, Domingo JC, Sanz F, Pastor M, Ciruela F, Martinez-Seara H, Selent J. Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors. Sci Rep, 2016; 6: 19839 . PMID: 26796668 . DOI: 10.1038/srep19839.

2016

Original articles in indexed journals - Functional Genomics

Hänzelmann S, Wang J, Guney E, Tang Y, Zhang E, Axelsson AS, Nenonen H, Salehi A, Wollheim CB, Zetterberg E, Berntorp E, Costa IG, Castelo R, Rosengren A. Thrombin stimulates insulin secretion via protease-activated receptor-3. Islets, 2016; 7 (4) . PMID: 26742564 . DOI: 10.1080/19382014.2015.1118195.

2016

Original articles in indexed journals - GPCR Drug Discovery

Kaczor AA, Rutkowska E, Bartuzi D, Targowska-Duda KM, Matosiuk D, Selent J. Computational methods for studying G protein-coupled receptors (GPCRs). Method Cell Biol, 2016; 132: 359-399 . PMID: 26928552 . DOI: 10.1016/bs.mcb.2015.11.002.

2015

Original articles in indexed journals - Evolutionary Genomics

Ruiz-Orera J, Hernandez-Rodriguez J, Chiva C, Sabidó E, Kondova I, Bontrop R, Marqués-Bonet T, Alba MM. Origins of De Novo Genes in Human and Chimpanzee. PLoS Genet, 2015; 11(12) :e1005721 . PMID: 26720152 . DOI: 10.1371/journal.pgen.1005721. eCollection 2015.

2015

Original articles in indexed journals - Integrative Biomedical Informatics

Abascal MF, Besso MJ, Rosso M, Mencucci MV, Aparicio E, Szapiro G, Furlong LI, Vázquez-Levin MH*. CDH1/E-cadherin and solid tumors. An updated gene-disease association analysis using bioinformatics tools. Comput Biol Chem. 2015; 60: 9-20 . PMID: 26674224 . DOI: 10.1016/j.compbiolchem.2015.10.002 FEB 2016.

2015



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