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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
IN MY: ORCID
2
TITLE: Influence of the protein structure surrounding the active site on the catalytic activity of [NiFeSe] hydrogenases  Full Text
AUTHORS: Oscar Gutierrez Sanz; Marta C Marques; Carla S A Baltazar; Victor M Fernandez; Claudio M Soares ; Ines A C Pereira ; Antonio L De Lacey;
PUBLISHED: 2013, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 18, ISSUE: 4
INDEXED IN: Scopus WOS
IN MY: ORCID
3
TITLE: Mind the gap: cytochrome interactions reveal electron pathways across the periplasm of Shewanella oneidensis MR-1
AUTHORS: Bruno M Fonseca; Catarina M Paquete ; Sonia E Neto; Isabel Pacheco; Claudio M Soares ; Ricardo O Louro ;
PUBLISHED: 2013, SOURCE: BIOCHEMICAL JOURNAL, VOLUME: 449, ISSUE: 1
INDEXED IN: Scopus WOS
IN MY: ORCID
4
TITLE: Predicting the Thermodynamics and Kinetics of Helix Formation in a Cyclic Peptide Model  Full Text
AUTHORS: Joao M Damas; Luis C S Filipe; Sara R R Campos; Diana Lousa ; Bruno L Victor; Antonio M Baptista; Claudio M Soares ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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TITLE: Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX  Full Text
AUTHORS: Gesa Volkers; Joao M Damas; Gottfried J Palm; Santosh Panjikar; Claudio M Soares ; Winfried Hinrichs;
PUBLISHED: 2013, SOURCE: ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, VOLUME: 69, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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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
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TITLE: Design of a Peptidic Turn with High Affinity for Hg-II  Full Text
AUTHORS: Sara Pires; Jelena Habjanic; Murat Sezer; Claudio M Soares ; Lars Hemmingsen; Olga Iranzo;
PUBLISHED: 2012, SOURCE: INORGANIC CHEMISTRY, VOLUME: 51, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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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
IN MY: ORCID
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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
IN MY: ORCID
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