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TITLE: Thermal unfolding simulations of NBD1 domain variants reveal structural motifs associated with the impaired folding of F508del-CFTR
AUTHORS: Estácio, SG; Martiniano, HFMC; Faísca, PFN;
PUBLISHED: 2016, SOURCE: Molecular BioSystems, VOLUME: 12, ISSUE: 9
INDEXED IN: Scopus CrossRef: 10
IN MY: ORCID
3
TITLE: Calcium binding to gatekeeper residues flanking aggregation-prone segments underlies non-fibrillar amyloid traits in superoxide dismutase 1 (SOD1)  Full Text
AUTHORS: Sílvia G Estácio; Sónia S Leal; Joana S Cristóvão; Patrícia F.N Faísca; Cláudio M Gomes;
PUBLISHED: 2015, SOURCE: Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, VOLUME: 1854, ISSUE: 2
INDEXED IN: CrossRef
IN MY: ORCID
5
TITLE: Assessing the Effect of Loop Mutations in the Folding Space of β2-Microglobulin with Molecular Dynamics Simulations  Full Text
AUTHORS: Sílvia Estácio; Eugene Shakhnovich; Patrícia Faísca;
PUBLISHED: 2013, SOURCE: IJMS - International Journal of Molecular Sciences, VOLUME: 14, ISSUE: 9
INDEXED IN: CrossRef
IN MY: ORCID
6
TITLE: Robustness of atomistic Gō models in predicting native-like folding intermediates
AUTHORS: Estacio, SG; Fernandes, CS; Krobath, H; Faisca, PFN; Shakhnovich, EI;
PUBLISHED: 2012, SOURCE: Journal of Chemical Physics, VOLUME: 137, ISSUE: 8
INDEXED IN: Scopus
7
TITLE: In Silico Strategies Toward Enzyme Function and Dynamics
AUTHORS: Sílvia G Estácio;
PUBLISHED: 2012, SOURCE: Structural and Mechanistic Enzymology - Bringing Together Experiments and Computing - Advances in Protein Chemistry and Structural Biology
INDEXED IN: CrossRef
IN MY: ORCID
8
TITLE: Robustness of atomistic Gō models in predicting native-like folding intermediates  Full Text
AUTHORS: Estácio, SG; Fernandes, CS; Krobath, H; Faísca, PFN; Shakhnovich, EI;
PUBLISHED: 2012, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 137, ISSUE: 8
INDEXED IN: CrossRef
IN MY: ORCID
9
TITLE: Characterizing the Dynamics and Ligand-Specific Interactions in the Human Leukocyte Elastase through Molecular Dynamics Simulations  Full Text
AUTHORS: Sílvia G Estácio; Rui Moreira; Rita C Guedes;
PUBLISHED: 2011, SOURCE: Journal of Chemical Information and Modeling - J. Chem. Inf. Model., VOLUME: 51, ISSUE: 7
INDEXED IN: CrossRef
IN MY: ORCID
10
TITLE: Electronic Properties of Hydrogen Bond Networks: Implications for Solvent Effects in Polar Liquids  Full Text
AUTHORS: Silvia Gomes EstÁcio; Hugo F.M.C Martiniano; Paulo Cabral Do Couto; Benedito JOSÉ Costa Cabral;
PUBLISHED: 2008, SOURCE: Solvation Effects on Molecules and Biomolecules
INDEXED IN: CrossRef
IN MY: ORCID
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