Alexandra Carvalho
Alexandra Carvalho
University of Coimbra, CNC-Center for Neuroscience and Cell Biology
Verified email at icm.uu.se
Title
Cited by
Cited by
Year
Similarities and differences in the thioredoxin superfamily
AP Carvalho, PA Fernandes, MJ Ramos
Progress in biophysics and molecular biology 91 (3), 229-248, 2006
1342006
Amanita phalloides poisoning: Mechanisms of toxicity and treatment
J Garcia, VM Costa, A Carvalho, P Baptista, PG de Pinho, ...
Food and chemical toxicology 86, 41-55, 2015
1282015
The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity
C Coelho, M Mahro, J Trincão, ATP Carvalho, MJ Ramos, M Terao, ...
Journal of Biological Chemistry 287 (48), 40690-40702, 2012
832012
Modeling the mechanisms of biological GTP hydrolysis
ATP Carvalho, K Szeler, K Vavitsas, J Åqvist, SCL Kamerlin
Archives of biochemistry and biophysics 582, 80-90, 2015
562015
Cooperative electrostatic interactions drive functional evolution in the alkaline phosphatase superfamily
A Barrozo, F Duarte, P Bauer, ATP Carvalho, SCL Kamerlin
Journal of the American Chemical Society 137 (28), 9061-9076, 2015
552015
Challenges in computational studies of enzyme structure, function and dynamics
ATP Carvalho, A Barrozo, D Doron, AV Kilshtain, DT Major, SCL Kamerlin
Journal of Molecular Graphics and Modelling 54, 62-79, 2014
552014
Mechanism of thioredoxin-catalyzed disulfide reduction. Activation of the buried thiol and role of the variable active-site residues
ATP Carvalho, M Swart, JNP van Stralen, PA Fernandes, MJ Ramos, ...
The Journal of Physical Chemistry B 112 (8), 2511-2523, 2008
512008
Determination of the ΔpKa between the active site cysteines of thioredoxin and DsbA
ATP Carvalho, PA Fernandes, MJ Ramos
Journal of computational chemistry 27 (8), 966-975, 2006
442006
The catalytic mechanism of RNA polymerase II
ATP Carvalho, PA Fernandes, MJ Ramos
Journal of chemical theory and computation 7 (4), 1177-1188, 2011
412011
Rational Design of a (S)-Selective-Transaminase for Asymmetric Synthesis of (1S)-1-(1, 1′-biphenyl-2-yl) ethanamine
DFAR Dourado, S Pohle, ATP Carvalho, DS Dheeman, JM Caswell, ...
ACS Catalysis 6 (11), 7749-7759, 2016
392016
A breakthrough on Amanita phalloides poisoning: an effective antidotal effect by polymyxin B
J Garcia, VM Costa, ATP Carvalho, R Silvestre, JA Duarte, ...
Archives of toxicology 89 (12), 2305-2323, 2015
352015
Electronic structure investigation and parametrization of biologically relevant iron–sulfur clusters
ATP Carvalho, M Swart
Journal of chemical information and modeling 54 (2), 613-620, 2014
312014
Parameters for molecular dynamics simulations of iron‐sulfur proteins
ATP Carvalho, AFS Teixeira, MJ Ramos
Journal of computational chemistry 34 (18), 1540-1548, 2013
312013
Theoretical study of the unusual protonation properties of the active site cysteines in thioredoxin
ATP Carvalho, PA Fernandes, MJ Ramos
The journal of physical chemistry B 110 (11), 5758-5761, 2006
312006
Understanding the structural and dynamic consequences of DNA epigenetic modifications: Computational insights into cytosine methylation and hydroxymethylation
ATP Carvalho, L Gouveia, CR Kanna, SKTS Wärmländer, JA Platts, ...
Epigenetics 9 (12), 1604-1612, 2014
292014
Determination of amatoxins and phallotoxins in Amanita phalloides mushrooms from northeastern Portugal by HPLC-DAD-MS
J Garcia, A Oliveira, PG de Pinho, V Freitas, A Carvalho, P Baptista, ...
Mycologia 107 (4), 679-687, 2015
212015
Polycaprolactone enzymatic hydrolysis: a mechanistic study
BC Almeida, P Figueiredo, ATP Carvalho
Acs Omega 4 (4), 6769-6774, 2019
192019
Role of the variable active site residues in the function of thioredoxin family oxidoreductases
ATP Carvalho, PA Fernandes, M Swart, JNP Van Stralen, FM Bickelhaupt, ...
Journal of computational chemistry 30 (5), 710-724, 2009
172009
New in silico insights into the inhibition of RNAP II by α-amanitin and the protective effect mediated by effective antidotes
J Garcia, ATP Carvalho, DFAR Dourado, P Baptista, M de Lourdes Bastos, ...
Journal of Molecular Graphics and Modelling 51, 120-127, 2014
132014
Why the flavin adenine dinucleotide (FAD) cofactor needs to be covalently linked to complex II of the electron‐transport chain for the conversion of FADH2 into FAD
DFAR Dourado, M Swart, ATP Carvalho
Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20), 5246, 2018
122018
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