121
TITLE: Molecular dynamic simulations and structure-based pharmacophore development for farnesyltransferase inhibitors discovery  Full Text
AUTHORS: Moorthy, NSHN; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2016, SOURCE: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, VOLUME: 31, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 6
IN MY: ORCID
123
TITLE: Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations  Full Text
AUTHORS: Moreira, C; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2016, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 22, ISSUE: 27
INDEXED IN: Scopus WOS CrossRef: 19
IN MY: ORCID
124
TITLE: Structure of a truncated form of leucine zipper II of JIP3 reveals an unexpected antiparallel coiled-coil arrangement
AUTHORS: Paola Llinas; Melanie Chenon; Quyen Nguyen, TQ; Catia Moreira; Annelie de Regibus; Aline Coquard; Maria J Ramos ; Raphael Guerois; Pedro A Fernandes ; Julie Menetrey;
PUBLISHED: 2016, SOURCE: ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, VOLUME: 72, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
126
TITLE: The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac  Full Text
AUTHORS: Bras, NF ; Ferreira, P; Calixto, AR ; Jaspars, M; Houssen, W; Naismith, JH; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2016, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 22, ISSUE: 37
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
127
TITLE: Unveiling the Catalytic Mechanism of NADP(+)-Dependent Isocitrate Dehydrogenase with QM/MM Calculations
AUTHORS: Neves, Rui P. P. ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2016, SOURCE: ACS CATALYSIS, VOLUME: 6, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 23
IN MY: ORCID
128
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
129
TITLE: Dynamics of excited clusters of beta-alanine in the gas phase  Full Text
AUTHORS: Piekarski, DG; Ramos, MJ ; Diaz Tendero, S;
PUBLISHED: 2015, SOURCE: 29th International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC) in XXIX INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC, AND ATOMIC COLLISIONS (ICPEAC2015), PTS 1-12, VOLUME: 635, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
130
TITLE: Enzymatic Flexibility and Reaction Rate: A QM/MM Study of HIV-1 Protease
AUTHORS: Antonio J M Ribeiro ; Diogo Santos Martins; Nino Russo; Maria J Rarnos ; Pedro A Fernandes ;
PUBLISHED: 2015, SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 66
IN MY: ORCID
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