I. Moreira

发表

Solvent‐accessible surface area: How well can be applied to hot‐spot detection?

J. Martins, R. M. Ramos, A. Pimenta, 2014, Proteins.

Hot spots—A review of the protein–protein interface determinant amino‐acid residues

Pedro A Fernandes, Maria J Ramos, Irina S Moreira, 2007, Proteins.

Are hot-spots occluded from water?

Pedro Alexandrino Fernandes, Maria João Ramos, Irina Sousa Moreira, 2014, Journal of biomolecular structure & dynamics.

Computational studies of G protein-coupled receptor complexes: Structure and dynamics.

I. Moreira, J. Shabbir, G. Morra, 2017, Methods in cell biology.

Detailed microscopic study of the full zipA:FtsZ interface

P A Fernandes, M J Ramos, I. Moreira, 2006, Proteins.

Structural Basis of Dopamine Receptor Activation

Spencer S. Ericksen, H. Weinstein, I. Moreira, 2010 .

Allosteric communication between protomers of dopamine Class A GPCR dimers modulates activation

Irina S. Moreira, Jonathan A. Javitch, Harel Weinstein, 2009, Nature chemical biology.

Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD

Harel Weinstein, Thijs Beuming, Irina S Moreira, 2009, Proceedings of the National Academy of Sciences.

Computational modeling on mitochondrial channel nanotoxicity

R. Concu, I. Moreira, M. Cordeiro, 2020 .

Unraveling the importance of protein-protein interaction: application of a computational alanine-scanning mutagenesis to the study of the IgG1 streptococcal protein G (C2 fragment) complex.

I. Moreira, P. Fernandes, M. Ramos, 2006, The journal of physical chemistry. B.

In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson’s Disease

I. Moreira, M. Cordeiro, Agostinho Lemos, 2018, Current neuropharmacology.

The Evolutionary Portrait of Metazoan NAD Salvage

I. Moreira, A. Amorim, L. Azevedo, 2013, PloS one.

Computational Alanine Scanning Mutagenesis-An Improved Methodological Approach for Protein-DNA Complexes.

Irina S Moreira, R. M. Ramos, I. Moreira, 2013, Journal of chemical theory and computation.

Backbone Importance for Protein-Protein Binding.

Pedro A Fernandes, Maria J Ramos, Irina S Moreira, 2007, Journal of chemical theory and computation.

Understanding the importance of the aromatic amino-acid residues as hot-spots.

P A Fernandes, M J Ramos, J. Martins, 2013, Biochimica et biophysica acta.

Re(I) and Tc(I) Complexes for Targeting Nitric Oxide Synthase: Influence of the Chelator in the Affinity for the Enzyme

I. Moreira, B. Oliveira, J. Correia, 2015, Chemical biology & drug design.

Theoretical studies on the binding of rhenium(I) complexes to inducible nitric oxide synthase.

I. Moreira, B. Oliveira, J. Correia, 2013, Journal of molecular graphics & modelling.

Insights into the structural determinants for selective inhibition of nitric oxide synthase isoforms

Irina S. Moreira, Maria J. Ramos, Isabel Santos, 2013, Journal of Molecular Modeling.

Biphasic apatite-carbon materials derived from pyrolysed fish bones for effective adsorption of persistent pollutants and heavy metals

I. Moreira, R. Pullar, A. Fernandes, 2017 .

An overview of antiretroviral agents for treating HIV infection in paediatric population.

I. Moreira, J. Correia, Agostinho Lemos, 2020, Current medicinal chemistry.

Biological removal processes in aerobic granular sludge exposed to diclofenac

M. V. van Loosdrecht, I. Moreira, P. Castro, 2021, Environmental technology.

A Complete Assessment of Dopamine Receptor- Ligand Interactions through Computational Methods

A. Schiedel, I. Moreira, A. J. Preto, 2019, Molecules.

Computer-Aided Drug Design Approaches to Study Key Therapeutic Targets in Alzheimer’s Disease

I. Moreira, M. Cordeiro, Agostinho Lemos, 2018 .

Carbamazepine is degraded by the bacterial strain Labrys portucalensis F11.

I. Moreira, G. Mascolo, P. Castro, 2019, The Science of the total environment.

Biodegradation of Diclofenac by the bacterial strain Labrys portucalensis F11.

I. Moreira, G. Mascolo, P. Castro, 2018, Ecotoxicology and environmental safety.

Enrichment of bacterial strains for the biodegradation of diclofenac and carbamazepine from activated sludge

I. Moreira, P. Castro, M. Tiritan, 2017 .

The Central Role of Non-Structural Protein 1 (NS1) in Influenza Biology and Infection

I. Moreira, Rita Melo, A. J. Preto, 2020, International journal of molecular sciences.

Vascular endothelial growth factor (VEGF) inhibition--a critical review.

I. Moreira, P. Fernandes, M. Ramos, 2007, Anti-cancer agents in medicinal chemistry.

Strategies for Biodegradation of Fluorinated Compounds

I. Moreira, P. Castro, C. Murphy, 2018 .

Aerobic Granular Sludge: Treatment of Wastewaters Containing Toxic Compounds

M. Loosdrecht, I. Moreira, P. Castro, 2017 .

Degradation of difluorobenzenes by the wild strain Labrys portucalensis

I. Moreira, P. Castro, C. L. Amorim, 2009, Biodegradation.

Structural Characterization of Membrane Protein Dimers.

Panagiotis I. Koukos, I. Moreira, S. Sousa, 2019, Methods in molecular biology.

Photodegradation of pharmaceutical persistent pollutants using hydroxyapatite-based materials.

I. Moreira, P. Castro, C. Piccirillo, 2016, Journal of environmental management.

SARS-CoV-2 Membrane Protein: From Genomic Data to Structural New Insights

I. Moreira, M. Pires, N. Rosário-Ferreira, 2021, International journal of molecular sciences.

In Silico End-to-End Protein–Ligand Interaction Characterization Pipeline: The Case of SARS-CoV-2

Tomás F D Silva, Bruno L. Victor, I. Moreira, 2021, ACS synthetic biology.

Enantioselective biodegradation of fluoxetine by the bacterial strain Labrys portucalensis F11.

I. Moreira, P. Castro, A. R. Ribeiro, 2014, Chemosphere.

Photocatalytic Degradation of Diclofenac by Hydroxyapatite–TiO2 Composite Material: Identification of Transformation Products and Assessment of Toxicity

I. Moreira, G. Mascolo, P. Castro, 2018, Materials.

Enantioselective quantification of fluoxetine and norfluoxetine by HPLC in wastewater effluents.

I. Moreira, P. Castro, A. R. Ribeiro, 2014, Chemosphere.

Phenology and long-term control of Heracleum mantegazzianum

I. Moreira, K. Murphy, M. T. Ferreira, 2022 .

Biodegradation of ofloxacin, norfloxacin, and ciprofloxacin as single and mixed substrates by Labrys portucalensis F11

I. Moreira, P. Castro, M. Tiritan, 2014, Applied Microbiology and Biotechnology.

Treatment of a simulated wastewater amended with a chiral pharmaceuticals mixture by an aerobic granular sludge sequencing batch reactor

Irina S. Moreira, Maria Elizabeth Tiritan, Cristina Delerue-Matos, 2016 .

Removal of fluoxetine and its effects in the performance of an aerobic granular sludge sequential batch reactor.

M. V. van Loosdrecht, I. Moreira, A. O. Rangel, 2015, Journal of hazardous materials.

Degradation of Fluorobenzene by Rhizobiales Strain F11 via ortho Cleavage of 4-Fluorocatechol and Catechol

I. Moreira, D. Janssen, P. Castro, 2006, Applied and Environmental Microbiology.

Actinobacteria isolated from wastewater treatment plants located in the east-north of Algeria able to degrade pesticides

I. Moreira, P. Castro, A. Boudemagh, 2022, World Journal of Microbiology and Biotechnology.

Network biology and artificial intelligence drive the understanding of the multidrug resistance phenotype in cancer.

I. Moreira, M. Machuqueiro, B. Bueschbell, 2022, Drug resistance updates : reviews and commentaries in antimicrobial and anticancer chemotherapy.

Effect of the metals iron, copper and silver on fluorobenzene biodegradation by Labrys portucalensis

I. Moreira, M. Carvalho, C. Afonso, 2012, Biodegradation.

Effect of the metals iron, copper and silver on fluorobenzene biodegradation by Labrys portucalensis

I. Moreira, P. Castro, M. Carvalho, 2013, Biodegradation.

Biodegradation and Metabolic Pathway of 17β-Estradiol by Rhodococcus sp. ED55

I. Moreira, G. Mascolo, P. Castro, 2022, International journal of molecular sciences.

Biodegradation and Metabolic Pathway of the Neonicotinoid Insecticide Thiamethoxam by Labrys portucalensis F11

I. Moreira, P. Castro, A. C. Ferreira, 2022, International journal of molecular sciences.

Sediments in the mangrove areas contribute to the removal of endocrine disrupting chemicals in coastal sediments of Macau SAR, China, and harbour microbial communities capable of degrading E2, EE2, BPA and BPS

I. Moreira, P. Castro, Xianzhi Peng, 2021, Biodegradation.

Protein–protein docking dealing with the unknown

Pedro Alexandrino Fernandes, Irina S. Moreira, Maria João Ramos, 2009, J. Comput. Chem..

Structure-activity relationships of a small-molecule inhibitor of the PDZ domain of PICK1.

Irina S. Moreira, Harel Weinstein, S. Brøgger Christensen, 2010, Organic & biomolecular chemistry.

Co-metabolic degradation of chlorobenzene by the fluorobenzene degrading wild strain Labrys portucalensis

I. Moreira, P. Castro, M. Carvalho, 2012 .

Computational Tools for the Structural Characterization of Proteins and Their Complexes from Sequence-Evolutionary Data

Irina S. Moreira, Alexandre M. J. J. Bonvin, Li C. Xue, 2018 .

Structural features of the G-protein/GPCR interactions.

I. Moreira, 2014, Biochimica et biophysica acta.

Temperature and dietary carbohydrate level effects on performance and metabolic utilisation of diets in European sea bass (Dicentrarchus labrax) juveniles

Irina S. Moreira, I. Moreira, H. Peres, 2008 .

SicknessMiner: a deep-learning-driven text-mining tool to abridge disease-disease associations

Vítor Santos Costa, Irina S. Moreira, V. S. Costa, 2021, BMC Bioinformatics.

Prediction and targeting of GPCR oligomer interfaces.

Carlos A V Barreto, Salete J Baptista, António José Preto, 2020, Progress in molecular biology and translational science.

SPOTONE: Hot Spots on Protein Complexes with Extremely Randomized Trees via Sequence-Only Features

Irina S Moreira, A J Preto, I. Moreira, 2020, International journal of molecular sciences.

Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

Irina S. Moreira, Anna Vangone, Cunliang Geng, 2017, Journal of Computer-Aided Molecular Design.

Evolution of drug resistance: insight on TEM β-lactamases structure and activity and β-lactam antibiotics.

A. Pimenta, I. Moreira, R. Fernandes, 2014, Mini reviews in medicinal chemistry.

MENSAdb: a thorough structural analysis of membrane protein dimers

Irina S. Moreira, Alexandre M. J. J. Bonvin, Pedro Matos-Filipe, 2019, Database J. Biol. Databases Curation.

General AMBER Force Field Parameters for Diphenyl Diselenides and Diphenyl Ditellurides.

A. Polimeno, A. Pimenta, I. Moreira, 2016, The journal of physical chemistry. A.

Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization

Pedro R. Magalhães, I. Moreira, M. Cordeiro, 2019, bioRxiv.

Treatment of saline wastewater amended with endocrine disruptors by aerobic granular sludge: assessing performance and microbial community dynamics

I. Moreira, J. Bassin, M. Dezotti, 2022, Journal of Environmental Chemical Engineering.

Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces

M. Natália D. S. Cordeiro, Carlos Fernandez-Lozano, Cristian R. Munteanu, 2015, J. Chem. Inf. Model..

Membrane proteins structures: A review on computational modeling tools.

Alexandre M J J Bonvin, Panagiotis I. Koukos, Panagiotis I Koukos, 2017, Biochimica et biophysica acta. Biomembranes.

Computational alanine scanning mutagenesis—An improved methodological approach

Pedro Alexandrino Fernandes, Irina S. Moreira, Maria João Ramos, 2007, J. Comput. Chem..

The Treasury Chest of Text Mining: Piling Available Resources for Powerful Biomedical Text Mining

Nícia Rosário-Ferreira, Victor Guimarães, Catarina Marques-Pereira, 2021, BioChem.

A new scoring function for protein-protein docking that identifies native structures with unprecedented accuracy.

Pedro A Fernandes, Maria J Ramos, Irina S Moreira, 2015, Physical chemistry chemical physics : PCCP.

Structural Determinants of a Typical Leucine-Rich Repeat Protein

Irina S. Moreira, João M. Martins, J. Martins, 2013 .

Supervised Classification Applied to Hot-Spot Detection in Protein-Protein Interfaces

Irina de Sousa Moreira, I. Moreira, 2016 .

A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces

Irina S. Moreira, Alexandre M. J. J. Bonvin, André Melo, 2016, International journal of molecular sciences.

Recent Advances on Computational Proteomics

Irina S. Moreira, Nuno M. F. S. A. Cerqueira, Sérgio F. Sousa, 2009 .

COMPUTATIONAL DETERMINATION OF THE RELATIVE FREE ENERGY OF BINDING - APPLICATION TO ALANINE SCANNING MUTAGENESIS

I. Moreira, P. Fernandes, M. Ramos, 2007 .

Protein–protein recognition: a computational mutagenesis study of the MDM2–P53 complex

Irina S. Moreira, Maria J. Ramos, Pedro A. Fernandes, 2008 .

SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

Alexandre M J J Bonvin, Rita Melo, Panagiotis I. Koukos, 2017, Scientific Reports.

Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family

Carlos A V Barreto, António José Preto, Zeynep Kurkcuoglu, 2020, J. Chem. Inf. Model..

Predicting Hot Spots Using a Deep Neural Network Approach

Irina S. Moreira, Pedro Matos-Filipe, António J. Preto, 2021, Artificial Neural Networks, 3rd Edition.

Computational proteomics

Marta A. S. Perez, Daniel F. A. R. Dourado, I. Moreira, 2011 .

Decoding Partner Specificity of Opioid Receptor Family

I. Moreira, Rita Melo, A. J. Preto, 2021, Frontiers in Molecular Biosciences.

Integrated in Silico and Experimental Approach towards the Design of a Novel Recombinant Protein Containing an Anti-HER2 scFv

I. Moreira, J. Correia, Rita Melo, 2021, International journal of molecular sciences.

Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor.

I. Moreira, G. Morra, Ozge Sensoy, 2016, ACS chemical neuroscience.

Guardians of the Cell: State-of-the-Art of Membrane Proteins from a Computational Point-of-View.

I. Moreira, J. Mourão, N. Rosário-Ferreira, 2021, Methods in molecular biology.

Targeting GPCRs Via Multi-Platforms Arrays and AI

I. Moreira, A. J. Preto, C. Barreto, 2021, Reference Module in Biomedical Sciences.

Unravelling Hot Spots: a comprehensive computational mutagenesis study

Irina S. Moreira, Maria J. Ramos, Pedro A. Fernandes, 2006 .

Hot spot computational identification: Application to the complex formed between the hen egg white lysozyme (HEL) and the antibody HyHEL-10†

Irina S. Moreira, Maria J. Ramos, Pedro A. Fernandes, 2007 .

New designs for MRI contrast agents

Pedro Alexandrino Fernandes, Alexandra T. P. Carvalho, A. T. Marques, 2003, J. Comput. Aided Mol. Des..

Modulation of Protein-Protein Interactions for the Development of Effective Therapeutics - From a Joint Perspective of Experiment and Computation.

I. Moreira, Ozge Sensoy, 2018, Current topics in medicinal chemistry.

River plants from an Iberian basin and environmental factors influencing their distribution

I. Moreira, M. T. Ferreira, 1999, Hydrobiologia.

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect

M. Natália D. S. Cordeiro, Irina S. Moreira, André Melo, 2014, J. Chem. Inf. Model..

Extending the applicability of the O-ring theory to protein-DNA complexes

Irina S. Moreira, R. M. Ramos, L. F. Fernandes, 2013, Comput. Biol. Chem..

Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI.

Marta A. S. Perez, Marta A S Perez, Irina S Moreira, 2013, Journal of chemical theory and computation.

Solvent Accessible Surface Area Hot-Spot Detection Method

Carlos Fernandez-Lozano, Cristian R. Munteanu, Irina S. Moreira, 2015 .

Solvent Accessible Surface Area Hot-Spot Detection

A. Pimenta, I. Moreira, C. Fernandez-Lozano, 2015 .

Enantioselective biodegradation of fluoxetine by the bacterial strain Labrys portucalensis F11.

I. Moreira, P. Castro, M. Tiritan, 2014, Chemosphere.

Biodegradation of ofloxacin, norfloxacin, and ciprofloxacin as single and mixed substrates by Labrys portucalensis F11

I. Moreira, P. Castro, M. Tiritan, 2013, Applied Microbiology and Biotechnology.

Hot spot occlusion from bulk water: a comprehensive study of the complex between the lysozyme HEL and the antibody FVD1.3.

Pedro A Fernandes, Maria J Ramos, Irina S Moreira, 2007, The journal of physical chemistry. B.

Prediction and Targeting of Interaction Interfaces in G-protein Coupled Receptor Oligomers.

A. Schiedel, I. Moreira, G. Morra, 2018, Current topics in medicinal chemistry.

Protein–protein docking dealing with the unknown

I. Moreira, P. Fernandes, M. Ramos, 2009, J. Comput. Chem..

Solvent‐accessible surface area: How well can be applied to hot‐spot detection?

J. Martins, R. M. Ramos, I. Moreira, 2014, Proteins.

Extending the applicability of the O-ring theory to protein-DNA complexes

R. M. Ramos, I. Moreira, L. F. Fernandes, 2013, Comput. Biol. Chem..

Enantioselective quantification of fluoxetine and norfluoxetine by HPLC in wastewater effluents.

I. Moreira, P. Castro, M. Tiritan, 2014, Chemosphere.

The Role of Water Occlusion for the Definition of a Protein Binding Hot-Spot.

Irina S Moreira, I. Moreira, 2015, Current topics in medicinal chemistry.