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Pedro Manuel Azevedo Alexandrino Fernandes

AuthID: R-000-EV5

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Confirmed Publications: 379

171

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

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172

TITLE: Benchmarking of Density Functionals for the Accurate Description of Thiol-Disulfide Exchange Full Text
AUTHORS: Neves, Rui P. P. ; Pedro A Fernandes ; Antonio J C Varandas; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 11

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173

TITLE: Binding mode prediction and identification of new lead compounds from natural products as renin and angiotensin converting enzyme inhibitors
AUTHORS: Hari Narayana H N Moorthy; Natercia F Bras ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: RSC ADVANCES, VOLUME: 4, ISSUE: 38

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174

TITLE: Biomembrane simulations of 12 lipid types using the general amber force field in a tensionless ensemble
AUTHORS: Joao T S Coimbra ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria Rangel ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 1

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175

TITLE: Biomolecular structure manipulation using tailored electromagnetic radiation: a proof of concept on a simplified model of the active site of bacterial DNA topoisomerase Full Text
AUTHORS: Daungruthai Jarukanont; Joao T S Coimbra ; Bernd Bauerhenne; Pedro A Fernandes ; Shekhar Patel; Maria J Ramos ; Martin E Garcia;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 39

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176

TITLE: Catalytic Mechanism of Retroviral Integrase for the Strand Transfer Reaction Explored by QM/MM Calculations Full Text
AUTHORS: Ana R Araujo; Antonio J M Ribeiro ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 12

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177

TITLE: chem-path-tracker: An Automated Tool to Analyze Chemical Motifs in Molecular Structures Full Text
AUTHORS: Joao V Ribeiro; Cerqueira, NMFSA ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 84, ISSUE: 1

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178

TITLE: Classification study of solvation free energies of organic molecules using machine learning techniques
AUTHORS: Hari Narayana H N Moorthy; Silvia A Martins; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: RSC ADVANCES, VOLUME: 4, ISSUE: 106

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179

TITLE: Discovery of new druggable sites in the anti-cholesterol target HMG-CoA reductase by computational alanine scanning mutagenesis Full Text
AUTHORS: Gesto, DS; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2014, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 20, ISSUE: 4

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180

TITLE: Discovery of New Sites for Drug Binding to the Hypertension-Related Renin-Angiotensinogen Complex Full Text
AUTHORS: Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 83, ISSUE: 4

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Page 18 of 38. Total results: 379.

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