Lista de obras - Irina S Moreira - Dominio Público Uruguay

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

artículo científico publicado en 2019

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

artículo científico publicado en 2016

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

artículo científico publicado en 2014

Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation.

artículo científico publicado en 2009

Are hot-spots occluded from water?

artículo científico publicado en 2013

Backbone Importance for Protein−Protein Binding†

artículo científico publicado en 2007

CompASM: an Amber-VMD alanine scanning mutagenesis plug-in

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

artículo científico publicado en 2013

Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI.

artículo científico publicado en 2013

Computational Approaches in Antibody-drug Conjugate Optimization for Targeted Cancer Therapy

artículo científico publicado en 2018

Computational alanine scanning mutagenesis--an improved methodological approach

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

artículo científico publicado en 2017

Decoding Partner Specificity of Opioid Receptor Family

artículo científico publicado en 2021

Detailed microscopic study of the full zipA:FtsZ interface.

artículo científico publicado en 2006

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

artículo científico publicado en 2014

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

scientific article published on 05 November 2019

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

artículo científico

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

artículo científico publicado en 2016

Hot Spot Occlusion from Bulk Water: a Comprehensive Study of the Complex between the Lysozyme HEL and the Antibody FVD1.3

artículo científico publicado en 2007

Hot spots--a review of the protein-protein interface determinant amino-acid residues

artículo científico publicado en 2007

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

artículo científico publicado en 2009

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

artículo científico publicado en 2021

In silico studies targeting G-protein coupled receptors for drug research against Parkinson's disease.

artículo científico publicado en 2018

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

artículo científico publicado en 2012

Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations

artículo científico publicado en 2013

Membrane proteins structures: A review on computational modeling tools.

artículo científico

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

artículo científico publicado en 2018

New designs for MRI contrast agents.

artículo científico publicado en 2003

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

artículo científico publicado en 2017

Predicting Hot Spots Using a Deep Neural Network Approach

artículo científico publicado en 2021

Protein-protein docking dealing with the unknown

artículo científico publicado en 2010

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

Re(I) and Tc(I) complexes for targeting nitric oxide synthase: influence of the chelator in the affinity for the enzyme.

artículo científico publicado en 2015

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

artículo científico publicado en 2021

Solvent accessible surface area-based hot-spot detection methods for protein-protein and protein-nucleic acid interfaces

artículo científico publicado en 2015

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

artículo científico publicado en 2013

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

artículo científico publicado en 2017

Structural Characterization of Membrane Protein Dimers

scientific article published on 01 January 2019

Structural features of the G-protein/GPCR interactions.

artículo científico publicado en 2013

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

artículo científico publicado en 2010

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

artículo científico publicado en 2020

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

artículo científico

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

artículo científico publicado en 2021

The evolutionary portrait of metazoan NAD salvage

artículo científico publicado en 2013

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

artículo científico publicado en 2013

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

artículo científico publicado en 2016

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

scientific article published on 25 July 2012

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

artículo científico publicado en 2006

Unravelling Hot Spots: a comprehensive computational mutagenesis study

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

artículo científico publicado en 2007

Lista de obras de Irina S Moreira

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

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

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

Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation.

Are hot-spots occluded from water?

Backbone Importance for Protein−Protein Binding†

CompASM: an Amber-VMD alanine scanning mutagenesis plug-in

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

Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI.

Computational Approaches in Antibody-drug Conjugate Optimization for Targeted Cancer Therapy

Computational alanine scanning mutagenesis--an improved methodological approach

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

Decoding Partner Specificity of Opioid Receptor Family

Detailed microscopic study of the full zipA:FtsZ interface.

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

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

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

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

Hot Spot Occlusion from Bulk Water: a Comprehensive Study of the Complex between the Lysozyme HEL and the Antibody FVD1.3

Hot spots--a review of the protein-protein interface determinant amino-acid residues

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

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

In silico studies targeting G-protein coupled receptors for drug research against Parkinson's disease.

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

Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations

Membrane proteins structures: A review on computational modeling tools.

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

New designs for MRI contrast agents.

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

Predicting Hot Spots Using a Deep Neural Network Approach

Protein-protein docking dealing with the unknown

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

Re(I) and Tc(I) complexes for targeting nitric oxide synthase: influence of the chelator in the affinity for the enzyme.

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

Solvent accessible surface area-based hot-spot detection methods for protein-protein and protein-nucleic acid interfaces

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

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

Structural Characterization of Membrane Protein Dimers

Structural features of the G-protein/GPCR interactions.

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

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

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

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

The evolutionary portrait of metazoan NAD salvage

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

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

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

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

Unravelling Hot Spots: a comprehensive computational mutagenesis study

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