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Miguel Ângelo dos Santos Machuqueiro

AuthID: R-000-D71

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Confirmed Publications: 20

1

TITLE: Charge Parametrization of the DvH-c(3) Heme Group: Validation Using Constant-(pH,E) Molecular Dynamics Simulations
AUTHORS: Joao Henriques; Paulo J Costa ; Maria Jose Calhorda ; Miguel Machuqueiro ;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 1

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2

TITLE: Conformational Study of GSH and GSSG Using Constant-pH Molecular Dynamics Simulations
AUTHORS: Diogo Vila Vicosa; Vitor H Teixeira; Hugo A F Santos; Miguel Machuqueiro ;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 25

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3

TITLE: Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study Full Text
AUTHORS: Carvalheda, CA; Campos, SRR; Machuqueiro, M ; Baptista, AM;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 53, ISSUE: 11

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4

TITLE: Tuning the Bioactivity of Tensioactive Deoxy Glycosides to Structure: Antibacterial Activity Versus Selective Cholinesterase Inhibition Rationalized by Molecular Docking. Tuning the Bioactivity of Deoxy Glycosides to Structure Full Text
AUTHORS: Alice Martins; Maria S Santos ; Catarina Dias; Patricia Serra; Vasco Cachatra; Joao Pais; Joao Caio; Vitor H Teixeira; Miguel Machuqueiro ; Marta S Silva ; Ana Pelerito; Jorge Justino; Margarida Goulart; Silva, Filipa VM ; Amelia P Rauter ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 2013, ISSUE: 8

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5

TITLE: Erratum: Unfolding the conformational behavior of peptide dendrimers: Insights from molecular dynamics simulations (Journal of the American Chemical Society (2011) 133 (5042-5052) DOI: 10.1021/ja111001v)
AUTHORS: Filipe, LCS; MacHuqueiro, M ; Baptista, AM ;
PUBLISHED: 2012, SOURCE: Journal of the American Chemical Society, VOLUME: 134, ISSUE: 49

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6

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

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7

TITLE: Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies Full Text
AUTHORS: Carla A Gamelas; Nuno A G Bandeira; Claudia C L Pereira; Maria Jose Calhorda ; Eberhardt Herdtweck; Miguel Machuqueiro ; Carlos C Romao ; Luis F Veiros ;
PUBLISHED: 2011, SOURCE: DALTON TRANSACTIONS, VOLUME: 40, ISSUE: 40

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8

TITLE: Is the prediction of pK(a) values by constant-pH molecular dynamics being hindered by inherited problems? Full Text
AUTHORS: Miguel Machuqueiro ; Antonio M Baptista ;
PUBLISHED: 2011, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 79, ISSUE: 12

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9

TITLE: Unfolding the Conformational Behavior of Peptide Dendrimers: Insights from Molecular Dynamics Simulations Full Text
AUTHORS: Luis C S Filipe; Miguel Machuqueiro ; Antonio M Baptista ;
PUBLISHED: 2011, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 133, ISSUE: 13

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10

TITLE: Constant-pH Molecular Dynamics Simulations Reveal a beta-Rich Form of the Human Prion Protein
AUTHORS: Sara R R Campos ; Miguel Machuqueiro ; Antonio M Baptista ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 114, ISSUE: 39

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