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
1252006
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
872015
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
762012
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
512015
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
502015
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
502008
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
462006
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
452014
The catalytic mechanism of RNA polymerase II
ATP Carvalho, PA Fernandes, MJ Ramos
Journal of chemical theory and computation 7 (4), 1177-1188, 2011
342011
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
322006
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
292016
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
242015
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
242014
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
232014
Parameters for molecular dynamics simulations of iron‐sulfur proteins
ATP Carvalho, AFS Teixeira, MJ Ramos
Journal of computational chemistry 34 (18), 1540-1548, 2013
232013
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
Organic & Biomolecular Chemistry
ATP Carvalho, AMC O’Donoghue, DRW Hodgsonb, SCL Kamerlin
212015
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
182009
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
122014
Polycaprolactone enzymatic hydrolysis: A mechanistic study
BC Almeida, P Figueiredo, ATP Carvalho
ACS Omega 4 (4), 6769-6774, 2019
102019
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Articles 1–20