Alexandra Carvalho
Alexandra Carvalho
University of Coimbra, CNC-Center for Neuroscience and Cell Biology
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Similarities and differences in the thioredoxin superfamily
AP Carvalho, PA Fernandes, MJ Ramos
Progress in biophysics and molecular biology 91 (3), 229-248, 2006
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
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
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
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
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
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
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
The catalytic mechanism of RNA polymerase II
ATP Carvalho, PA Fernandes, MJ Ramos
Journal of chemical theory and computation 7 (4), 1177-1188, 2011
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
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
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
Parameters for molecular dynamics simulations of iron‐sulfur proteins
ATP Carvalho, AFS Teixeira, MJ Ramos
Journal of computational chemistry 34 (18), 1540-1548, 2013
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
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
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
Polycaprolactone enzymatic hydrolysis: a mechanistic study
BC Almeida, P Figueiredo, ATP Carvalho
Acs Omega 4 (4), 6769-6774, 2019
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
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
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
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