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TITLE: Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas  Full Text
AUTHORS: Santos Martins, D; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2016, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 30, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 5
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TITLE: Inside Cover: The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac (Chem. Eur. J. 37/2016)  Full Text
AUTHORS: Brás, NF ; Pedro Ferreira ; 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 CrossRef
147
TITLE: Insights into the reaction mechanism of 3-O-sulfotransferase through QM/MM calculations  Full Text
AUTHORS: Rui P Sousa; Pedro A Fernandes ; Maria J Ramos ; Natercia F Bras ;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 11
148
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
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