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TITLE: A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies  Full Text
AUTHORS: Diana Lousa ; Antonio M Baptista ; Claudio M Soares ;
PUBLISHED: 2013, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 15, ISSUE: 33
INDEXED IN: Scopus WOS CrossRef
2
TITLE: Analyzing the Molecular Basis of Enzyme Stability in Ethanol/Water Mixtures Using Molecular Dynamics Simulations  Full Text
AUTHORS: Diana Lousa ; Antonio M Baptista ; Claudio M Soares ;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 52, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
4
TITLE: Interaction of Counterions with Subtilisin in Acetonitrile: Insights from Molecular Dynamics Simulations
AUTHORS: Diana Lousa ; Michele Cianci; John R Helliwell; Peter J Halling; Antonio M Baptista ; Claudio M Soares ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef
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TITLE: Reversibility of Prion Misfolding: Insights from Constant-pH Molecular Dynamics Simulations
AUTHORS: Diogo Vila Vicosa; Sara R R Campos ; Antonio M Baptista ; Miguel Machuqueiro ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 30
INDEXED IN: Scopus WOS
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TITLE: Simulation of multihaem cytochromes  Full Text
AUTHORS: Claudio M Soares ; Antonio M Baptista ;
PUBLISHED: 2012, SOURCE: FEBS LETTERS, VOLUME: 586, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef
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TITLE: Structural Determinants for the Membrane Insertion of the Transmembrane Peptide of Hemagglutinin from Influenza Virus  Full Text
AUTHORS: Bruno L Victor; Antonio M Baptista ; Claudio M Soares ;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 52, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
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TITLE: Water Encapsulation in a Polyoxapolyaza Macrobicyclic Compound  Full Text
AUTHORS: Pedro Mateus; Rita Delgado ; Patrick Groves; Sara R R Campos ; Antonio M Baptista ; Paula Brandao ; Vitor Felix ;
PUBLISHED: 2012, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 77, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 5
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TITLE: Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter  Full Text
AUTHORS: Sofia Oliveira, AS; Antonio M Baptista ; Claudio M Soares ;
PUBLISHED: 2011, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 79, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
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