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
INDEXED IN: Scopus WOS
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
INDEXED IN: Scopus WOS CrossRef
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
INDEXED IN: Scopus WOS
7
TITLE: Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies
AUTHORS: Gamelas, CA; Bandeira, NAG; Pereira, CCL; Calhorda, MJ ; Herdtweck, E; Machuqueiro, M ; Romao, CC ; Veiros, LF ;
PUBLISHED: 2011, SOURCE: DALTON TRANSACTIONS, VOLUME: 40, ISSUE: 40
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
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
INDEXED IN: Scopus WOS CrossRef
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
INDEXED IN: Scopus WOS CrossRef
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
INDEXED IN: Scopus WOS CrossRef
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