Irina S. Moreira
Irina S. Moreira
University of Coimbra, Life Sciences Department; Center for Neuroscience and Cell Biology
Verifierad e-postadress på cnc.uc.pt - Startsida
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Hot spots—A review of the protein–protein interface determinant amino‐acid residues
IS Moreira, PA Fernandes, MJ Ramos
Proteins: Structure, Function, and Bioinformatics 68 (4), 803-812, 2007
7412007
Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation
Y Han, IS Moreira, E Urizar, H Weinstein, JA Javitch
Nature chemical biology 5 (9), 688-695, 2009
3542009
Computational alanine scanning mutagenesis—an improved methodological approach
IS Moreira, PA Fernandes, MJ Ramos
Journal of Computational Chemistry 28 (3), 644-654, 2007
2122007
Protein–protein docking dealing with the unknown
IS Moreira, PA Fernandes, MJ Ramos
Journal of computational chemistry 31 (2), 317-342, 2010
1352010
Vascular endothelial growth factor (VEGF) inhibition-a critical review
I Sousa Moreira, P Alexandrino Fernandes, M Joao Ramos
Anti-cancer agents in medicinal chemistry (formerly current medicinal …, 2007
1332007
Structural features of the G-protein/GPCR interactions
IS Moreira
Biochimica et Biophysica Acta (BBA) - General Subjects, In press, 2013
1212013
Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD
TS Thorsen, KL Madsen, N Rebola, M Rathje, V Anggono, A Bach, ...
Proceedings of the National Academy of Sciences 107 (1), 413-418, 2010
1162010
Unraveling the importance of protein− protein interaction: Application of a computational alanine-scanning mutagenesis to the study of the IgG1 streptococcal protein G (C2 …
IS Moreira, PA Fernandes, MJ Ramos
The Journal of Physical Chemistry B 110 (22), 10962-10969, 2006
772006
Membrane proteins structures: A review on computational modeling tools
JG Almeida, AJ Preto, PI Koukos, AMJJ Bonvin, IS Moreira
Biochimica et Biophysica Acta (BBA)-Biomembranes 1859 (10), 2021-2039, 2017
592017
Computational Alanine Scanning Mutagenesis: MMPBSA vs TI
SA Martins, MAS Perez, IS Moreira, SF Sousa, MJ Ramos, PA Fernandes
Journal of Chemical Theory and Computation, 2013
552013
SpotOn: high accuracy identification of protein-protein interface hot-spots
IS Moreira, PI Koukos, R Melo, JG Almeida, AJ Preto, J Schaarschmidt, ...
Scientific reports 7 (1), 1-11, 2017
492017
Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2
Z Kurkcuoglu, PI Koukos, N Citro, ME Trellet, J Rodrigues, IS Moreira, ...
Journal of computer-aided molecular design 32 (1), 175-185, 2018
432018
Hot spot occlusion from bulk water: a comprehensive study of the complex between the lysozyme HEL and the antibody FVD1. 3
IS Moreira, PA Fernandes, MJ Ramos
The Journal of Physical Chemistry B 111 (10), 2697-2706, 2007
432007
Evolution of drug resistance: insight on TEM β-lactamases structure and activity and β-lactam antibiotics
AC Pimenta, R Fernandes, IS Moreira
Mini reviews in medicinal chemistry 14 (2), 111-122, 2014
422014
Unravelling Hot Spots: a comprehensive computational mutagenesis study
IS Moreira, PA Fernandes, MJ Ramos
Theoretical Chemistry Accounts 117 (1), 99-113, 2007
422007
Accuracy of the numerical solution of the Poisson–Boltzmann equation
IS Moreira, PA Fernandes, MJ Ramos
Journal of Molecular Structure: THEOCHEM 729 (1-2), 11-18, 2005
362005
A machine learning approach for hot-spot detection at protein-protein interfaces
R Melo, R Fieldhouse, A Melo, JDG Correia, MNDS Cordeiro, ZH Gümüş, ...
International journal of molecular sciences 17 (8), 1215, 2016
342016
Understanding the importance of the aromatic amino-acid residues as hot-spots
IS Moreira, JM Martins, RM Ramos, PA Fernandes, MJ Ramos
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1834 (1), 404-414, 2013
322013
Protein–protein recognition: a computational mutagenesis study of the MDM2–P53 complex
IS Moreira, PA Fernandes, MJ Ramos
Theoretical Chemistry Accounts 120 (4), 533-542, 2008
322008
Structure–activity relationships of a small-molecule inhibitor of the PDZ domain of PICK1
A Bach, N Stuhr-Hansen, TS Thorsen, N Bork, IS Moreira, K Frydenvang, ...
Organic & biomolecular chemistry 8 (19), 4281-4288, 2010
302010
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Artiklar 1–20