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TITLE: A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces  Full Text
AUTHORS: Rita Melo; Robert Fieldhouse; Andre Melo ; Joao D G Correia; Maria Natalia D S Cordeiro ; Zeynep H Gumus; Joaquim Costa ; Alexandre M J J Bonvin; Irina S Moreira ;
PUBLISHED: 2016, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 44
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TITLE: General AMBER Force Field Parameters for Diphenyl Diselenides and Diphenyl Ditellurides
AUTHORS: Mauro Torsello; Antonio C Pimenta; Lando P Wolters; Irina S Moreira ; Laura Orian; Antonino Polimeno;
PUBLISHED: 2016, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 120, ISSUE: 25
INDEXED IN: Scopus WOS CrossRef
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TITLE: Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor
AUTHORS: Ozge Sensoy; Irina S Moreira ; Giulia Morra;
PUBLISHED: 2016, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 7, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef
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TITLE: A new scoring function for protein-protein docking that identifies native structures with unprecedented accuracy  Full Text
AUTHORS: Irina S Moreira ; Joao M Martins; Joa T S Coimbra ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
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TITLE: Re(I) and Tc(I) Complexes for Targeting Nitric Oxide Synthase: Influence of the Chelator in the Affinity for the Enzyme  Full Text
AUTHORS: Bruno L Oliveira; Mauricio Morais; Filipa Mendes; Irina S Moreira ; Carlos Cordeiro; Pedro A Fernandes ; Maria J Ramos ; Roger Alberto; Isabel Santos; Joao D G Correia;
PUBLISHED: 2015, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 86, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
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TITLE: Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces  Full Text
AUTHORS: Cristian R Munteanu; Antonio C Pimenta; Carlos Fernandez Lozano; Andre Melo ; Maria N D S Cordeiro ; Irina S Moreira ;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 30
IN MY: ORCID
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TITLE: The Role of Water Occlusion for the Definition of a Protein Binding Hot-Spot
AUTHORS: Irina S Moreira ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 20
INDEXED IN: Scopus WOS
IN MY: ORCID
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TITLE: Are hot-spots occluded from water?
AUTHORS: Moreira, IS ; Ramos, RM ; Martins, JM; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 9
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TITLE: Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect  Full Text
AUTHORS: Pimenta, AC; Dourado, DFAR; Martins, JM; Melo, A ; Dias Soeiro Cordeiro, MNDS ; Almeida, RD; Morra, G; Moreira, IS ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
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TITLE: Evolution of Drug Resistance: Insight on TEM beta-Lactamases Structure and Activity and beta-Lactam Antibiotics
AUTHORS: Pimenta, AC; Fernandes, R; Moreira, IS ;
PUBLISHED: 2014, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 2
INDEXED IN: Scopus WOS
IN MY: ORCID
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