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Sérgio Filipe Maia de Sousa

AuthID: R-000-NGA

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Confirmed Publications: 167

131

TITLE: Dehydration of a polyether type extraction agent and of the corresponding K+ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods Full Text
AUTHORS: Mario Valente; Sérgio F. Sousa ; Alexandre L Magalhaes ; cristina freire ;
PUBLISHED: 2012, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 18, ISSUE: 11

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132

TITLE: In silico Based Structural Analysis of Some Piperidine Analogs as Farnesyltransferase Inhibitors
AUTHORS: Narayana Subbiah Hari Narayana Moorthy ; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2012, SOURCE: MEDICINAL CHEMISTRY, VOLUME: 8, ISSUE: 5

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133

TITLE: Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction
AUTHORS: Mario Valente; Sérgio F. Sousa ; Magalhaes, AL ; cristina freire ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 6

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134

TITLE: Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations Full Text
AUTHORS: Mario Valente; Sérgio F. Sousa ; Alexandre L Magalhaes ; cristina freire ;
PUBLISHED: 2011, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 17, ISSUE: 12

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135

TITLE: Computational proteomics: from methodological developments to biological applications
AUTHORS: Irina S Moreira; Natercia F Bras ; Alexandra T P Carvalho; Nuno M F A Cerqueira; Daniel F Dourado; Marta A S Perez; Antonio J M Ribeiro; Sérgio F. Sousa ; Pedro A Fernandes; Maria J Ramos;
PUBLISHED: 2011, SOURCE: Quantal aspects in chemistry and physics: a tribute to the memory of Professor Couceiro da Costa

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136

TITLE: Detailed Atomistic Analysis of the HIV-1 Protease Interface
AUTHORS: Sérgio F. Sousa ; Bruno Tamames; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 21

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137

TITLE: Detection of Farnesyltransferase Interface Hot Spots through Computational Alanine Scanning Mutagenesis
AUTHORS: Marta A S Perez; Sérgio F. Sousa ; Eduardo F T Oliveira; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 51

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138

TITLE: In Silico-Based Structural Analysis of Arylthiophene Derivatives for FTase Inhibitory Activity, hERG, and Other Toxic Effects
AUTHORS: Hari S H N Narayana Moorthy ; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2011, SOURCE: JOURNAL OF BIOMOLECULAR SCREENING, VOLUME: 16, ISSUE: 9

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139

TITLE: Structural feature study of benzofuran derivatives as farnesyltransferase inhibitors Full Text
AUTHORS: Hari Narayana H N Moorthy ; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2011, SOURCE: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, VOLUME: 26, ISSUE: 6

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140

TITLE: A comparative molecular dynamics study on the complexation of alkali metal cations by a poly-ethylene-glycol type podand in water and in dichloromethane Full Text
AUTHORS: Mario Valente; Sérgio F. Sousa ; Magalhaes, AL ; cristina freire ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3

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Page 14 of 17. Total results: 167.

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