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TITLE: Mechanistic Pathway on Human alpha-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations
AUTHORS: Bras, NF ; Santos Martins, D; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 122, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef: 23
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TITLE: A Buried Water Molecule Influences Reactivity in a alpha-Amylase on a Subnanosecond Time Scale
AUTHORS: Santos Martins, D; Calixto, AR ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 20
3
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: Cholesterol Biosynthesis: A Mechanistic Overview  Full Text
AUTHORS: Cerqueira, NMFSA ; Oliveira, EF; Gesto, DS; Santos Martins, D; cristina freire ; Moorthy, HN; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2016, SOURCE: BIOCHEMISTRY, VOLUME: 55, ISSUE: 39
INDEXED IN: Scopus WOS CrossRef: 196
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TITLE: HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015)
AUTHORS: Oliveira, EF; Santos Martins, D; Ribeiro, AM ; Bras, NF ; Cerqueira, NS ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2016, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 26, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 17
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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
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TITLE: AutoDock4(Zn): An Improved Auto Dock Force Field for Small-Molecule Docking to Zinc Metalloproteins  Full Text
AUTHORS: Diogo Santos Martins; Stefano Forli; Maria Joao Ramos ; Arthur J Olson;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 189