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Miguel Ângelo dos Santos Machuqueiro
AuthID:
R-000-D71
Publications
Confirmed
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Document Type:
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Article (19)
Erratum (1)
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IF Scopus Dsc
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Results:
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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
INDEXED IN:
Scopus
WOS
CrossRef
IN MY:
ORCID
|
ResearcherID
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
IN MY:
ORCID
|
ResearcherID
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
IN MY:
ORCID
|
ResearcherID
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
INDEXED IN:
Scopus
WOS
CrossRef
:
4
IN MY:
ORCID
|
ResearcherID
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
INDEXED IN:
Scopus
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
IN MY:
ORCID
|
ResearcherID
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
IN MY:
ORCID
|
ResearcherID
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
IN MY:
ORCID
|
ResearcherID
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
IN MY:
ORCID
|
ResearcherID
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