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Pedro Manuel Azevedo Alexandrino Fernandes

AuthID: R-000-EV5

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Confirmed Publications: 377

191

TITLE: QM/MM Study and MD Simulations on the Hypertension Regulator Angiotensin-Converting Enzyme
AUTHORS: Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: ACS CATALYSIS, VOLUME: 4, ISSUE: 8

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192

TITLE: Reaction Mechanism of Human Renin Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
AUTHORS: Ana R Calixto ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: ACS CATALYSIS, VOLUME: 4, ISSUE: 11

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193

TITLE: Relevant Interactions of Antimicrobial Iron Chelators and Membrane Models Revealed by Nuclear Magnetic Resonance and Molecular Dynamics Simulations
AUTHORS: Joao T S Coimbra ; Tania Moniz; Natercia F Bras ; Galya Iyanova; Pedro A Fernandes ; Maria J Ramos ; Maria Rangel ;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 118, ISSUE: 50

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194

TITLE: The Catalytic Mechanism of Carboxylesterases: A Computational Study Full Text
AUTHORS: Aranda, J; Cerqueira, NMFSA ; Fernandes, PA ; Roca, M; Tunon, I; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: BIOCHEMISTRY, VOLUME: 53, ISSUE: 36

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195

TITLE: The glycation site specificity of human serum transferrin is a determinant for transferrin's functional impairment under elevated glycaemic conditions
AUTHORS: Silva, AMN ; Paulo R H Sousa; Joao T S Coimbra ; Natercia F Bras ; Rui Vitorino ; Pedro A Fernandes ; Maria J Ramos ; Maria Rangel ; Pedro Domingues;
PUBLISHED: 2014, SOURCE: BIOCHEMICAL JOURNAL, VOLUME: 461, ISSUE: 1

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196

TITLE: A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase Full Text
AUTHORS: Ribeiro, AJM ; Ramos, MJ ; Fernandes, PA ; Russo, N;
PUBLISHED: 2013, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 571

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197

TITLE: Aryl- and Heteroaryl-Thiosemicarbazone Derivatives and Their Metal Complexes: A Pharmacological Template
AUTHORS: Moorthy, NSHN ; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: RECENT PATENTS ON ANTI-CANCER DRUG DISCOVERY, VOLUME: 8, ISSUE: 2

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198

TITLE: Combined ligand and structure based binding mode analysis of oxidosqualene cyclase inhibitors
AUTHORS: Hari Narayana H N Moorthy ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2013, SOURCE: RSC ADVANCES, VOLUME: 3, ISSUE: 45

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199

TITLE: Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes Full Text
AUTHORS: Sérgio F. Sousa ; Gaspar R P Pinto; Antonio J M Ribeiro ; Joao T S Coimbra ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 24

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200

TITLE: Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI Full Text
AUTHORS: Silvia A Martins; Marta A S Perez; Irina S Moreira ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 3

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