Original articles in indexed journals - Computational Science

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 - Computational Science

Stanley N, Pardo L, de Fabritiis G. The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptor. Sci Rep, 2016; 6: 22639 . PMID: 26940769 . DOI: 10.1038/srep22639.

2016

Original articles in indexed journals - Computational RNA Biology

Falaleeva M, Pages A, Matuszek Z, Hidmi S, Agranat-Tamir L, Korotkov K, Nevo Y, Eyras E, Sperling R, Stamm S. Dual function of C/D box small nucleolar RNAs in rRNA modification and alternative pre-mRNA splicing. Proc Natl Acad Sci U S A, 2016; 113 (12):E1625-E1634 . PMID: 26957605 . DOI: 10.1073/pnas.1519292113 MAR 22 2016.

2016

Reviews in indexed journals - Systems Pharmacology

Bousquet J, Anto JM, Akdis M, Auffray C, Keil T, Momas I, Postma D, Valenta R, Wickman M, Cambon-Thomsen A, Haahtela T, Lambrecht BN, Lodrup-Carlsen K, Koppelman GH, Sunyer J, Zuberbier T, Annesi-Maesano I, Arno A, Bindslev-Jensen C, De Carlo G, Forastiere F, Heinrich J, Kowalski ML, Maier D, Melén E, Palkonen S, Smit HA, Standl M, Wright J, Arsanoj A, Benet M, Balardini N, Garcia-Aymerich J, Gehring U, Guerra S, Hohman C, Kull I, Lupinek C, Pinart M, Skrindo I, Westman M, Smagghe D, Akdis C, Albang R, Anastasova V, Anderson N, Bachert C, Ballereau S, Ballester F, Basagana X, Bedbrook A, Bergstrom A, von Berg A, Brunekreef B, Burte E, Carlsen KH, Chatzi L, Coquet JM, Curin M, Demoly P, Eller E, Fantini MP, Gerhard B, Hammad H, von Hertzen L, Hovland V, Jacquemin B, Just J, Keller T, Kerkhof M, Kiss R, Kogevinas M, Koletzko S, Lau S, Lehmann I, Lemonnier N, McEachan R, Mäkelä M, Mestres J, Minina E, Mowinckel P, Nadif R, Nawijn M, Oddie S, Pellet J, Pin I, Porta D, Rancière F, Rial-Sebbag A, Saes Y, Schuijs MJ, Siroux V, Tischer CG, Torrent M, Varraso R, De Vocht J, Wenger K, Wieser S, Xu C. Paving the way of systems biology and precision medicine in allergic diseases: the MeDALL success story Mechanisms of the Development of ALLergy; EUFP7-CP-IP; Project No: 261357; 2010-2015. Allergy, 2016; 71 (11): 1513-1525 . PMID: 26970340 . DOI: 10.1111/all.12880.

2016

Original articles in indexed journals - PharmacoInformatics

Pegueroles C, Ferrés-Coy A, Martí-Solano M, Aquadro CF, Pascual M, Mestres F. Inversions and adaptation to the plant toxin ouabain shape DNA sequence variation within and between chromosomal inversions of Drosophila subobscura. Sci Rep, 2016; 6: 23754. . PMID: 27029337 . DOI: 10.1038/srep23754.

2016

PhD Thesis - Systems Pharmacology

Remez N. Drug design at biological systems level. University Pompeu Fabra. Thesis Director: Mestres J. February 8, 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 - 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 - 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 - 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