251
TITLE: Benchmarking of DFT Functionals for the Hydrolysis of Phosphodiester Bonds  Full Text
AUTHORS: Antonio J M Ribeiro ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 78
252
TITLE: Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors  Full Text
AUTHORS: Armenio Moura M Barbosa; Francesca De Rienzo; Maria J Ramos ; Maria Cristina Menziani;
PUBLISHED: 2010, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 45, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 15
253
TITLE: DFT studies on the beta-glycosidase catalytic mechanism: The deglycosylation step  Full Text
AUTHORS: Natercia F Bras ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 21
254
TITLE: Glutathione Transferase A1-1: Catalytic Importance of Arginine 15
AUTHORS: Daniel F A R Dourado; Pedro Alexandrino Fernandes ; Bengt Mannervik; Maria Joao Ramos ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 114, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 18
255
TITLE: Glutathione Transferase Classes Alpha, Pi, and Mu: GSH Activation Mechanism
AUTHORS: Daniel F A R Dourado; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 114, ISSUE: 40
INDEXED IN: Scopus WOS CrossRef: 18
256
TITLE: Inhibition of Pancreatic Elastase by Polyphenolic Compounds  Full Text
AUTHORS: Natercia F Bras ; Rui Goncalves; Nuno Mateus ; Pedro A Fernandes ; Maria Joao Ramos ; Victor Do Freitas ;
PUBLISHED: 2010, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 58, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 55
257
TITLE: Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes
AUTHORS: Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2010, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 12
INDEXED IN: Scopus CrossRef: 14
258
TITLE: Protein-Protein Docking Dealing With the Unknown  Full Text
AUTHORS: Irina S Moreira ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2010, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 31, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 111
259
TITLE: QM/MM Studies on the beta-Galactosidase Catalytic Mechanism: Hydrolysis and Transglycosylation Reactions  Full Text
AUTHORS: Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 97
260
TITLE: Ribonucleotide Reductase: A Mechanistic Portrait of Substrate Analogues Inhibitors
AUTHORS: Perez, MAS; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2010, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 26
INDEXED IN: Scopus WOS CrossRef: 14
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