Original articles in indexed journals - GPCR Drug Discovery

Ågren R, Zeberg H, Stępniewski TM, Free RB, Reilly SW, Luedtke RR, Århem P, Ciruela F, Sibley DR, Mach RH, Selent J, Nilsson J, Sahlholm K. Ligand with Two Modes of Interaction with the Dopamine D2 Receptor-An Induced-Fit Mechanism of Insurmountable Antagonism. ACS Chem Neurosci, 2020; 11(19):3130-3143. PMID: 32865974 . DOI: 10.1021/acschemneuro.0c00477.

2020

Original articles in indexed journals - Evolutionary Genomics

Hong SY, Sun B, Straub D, Blaakmeer A, Mineri L, Koch J, Brinch-Pedersen H, Holme IB, Burow M, Lyngs Jørgensen HJ, Albà MM, Wenkel S. Heterologous microProtein expression identifies LITTLE NINJA, a dominant regulator of jasmonic acid signaling. Proc Natl Acad Sci U S A, 2020; 117 (42): 26197-26205. PMID: 33033229 . DOI: 10.1073/pnas.2005198117.

2020

Original articles in indexed journals - NeuroGenomics

Telford M, Hughes DA, Juan D, Stoneking M, Navarro A, Santpere G. Expanding the Geographic Characterisation of Epstein-Barr Virus Variation through Gene-Based Approaches. Microorganisms, 2020;8(11):1686. PMID: 33138327 . DOI: 10.3390/microorganisms8111686.

2020

Original articles in indexed journals - Structural Bioinformatics

Artigas L, Coma M, Matos-Filipe P, Aguirre-Plans J, Farrés J, Valls R, Fernandez-Fuentes N, de la Haba-Rodriguez J, Olvera A, Barbera J, Morales R, Oliva B, Mas JM. In-silico drug repurposing study predicts the combination of pirfenidone and melatonin as a promising candidate therapy to reduce SARS-CoV-2 infection progression and respiratory distress caused by cytokine storm. PLoS One, 2020; 15(10): e02401495. PMID: 33006999 . DOI: 10.1371/journal.pone.0240149.

2020

Original articles in indexed journals - Structural Bioinformatics

Meseguer A, Dominguez L, Bota PM, Aguirre-Plans J, Bonet J, Fernandez-Fuentes N, Oliva B. Using collections of structural models to predict changes of binding affinity caused by mutations in protein-protein interactions. Protein Sci, 2020; 29(10): 2112-2130. PMID: 32797645 . DOI: 10.1002/pro.3930.

2020

Original articles in indexed journals - GPCR Drug Discovery

Dwivedi-Agnihotri H, Chaturvedi M, Baidya M, Stepniewski TM, Pandey S, Maharana J, Srivastava A, Caengprasath N, Hanyaloglu AC, Selent J, Shukla AK. Distinct phosphorylation sites in a prototypical GPCR differently orchestrate beta-arrestin interaction, trafficking, and signaling. Sci Adv, 2020; 6 (37): eabb8368. PMID: 32917711 . DOI: 10.1126/sciadv.abb8368.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Besso MJ, Montivero L, Lacunza E, Argibay MC, Abba M, Furlong LI, Colas E, Gil-Moreno A, Reventos J, Bello R, Vazquez-Levin MH. Identification of early stage recurrence endometrial cancer biomarkers using bioinformatics tools. Oncol Rep, 2020; 44(3): 873-886. PMID: 32705231 . DOI: 10.3892/or.2020.7648.

2020

Original articles in indexed journals - GPCR Drug Discovery

Baidya M, Kumari P, Dwivedi-Agnihotri H, Pandey S, Chaturvedi M, Stepniewski T, Kawakami K, Cao Y, Laporte SA, Selent J, Inoue A, Shukla AK. Key phosphorylation sites in GPCRs orchestrate the contribution of ?-Arrestin 1 in ERK1/2 activation. Embo Rep, 2020; e49886. PMID: 32715625 . DOI: 10.15252/embr.201949886.

2020

Original articles in indexed journals - Computational Science

Herrera-Nieto P, Pérez A, De Fabritiis G. Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations. Sci Rep, 2020;10(1): 12402. PMID: 32709860 . DOI: 10.1038/s41598-020-69322-2.

2020

Original articles in indexed journals - Computational Science

Herrera-Nieto P, Pérez A, De Fabritiis G. Small Molecule Modulation of Intrinsically Disordered Proteins Using Molecular Dynamics Simulations. J Chem Inf Model, 2020; 60:10; 5003-5010. PMID: 32786705 . DOI: 10.1021/acs.jcim.0c00381.

2020