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Molecular modelling of ABC transporters: from ATP hydrolysis to substrate transport
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Despite the great advances that have been made in the past decades in the ABC
transporters field, the molecular mechanisms involved in transport across
membranes remains largely an enigma. To date, questions regarding the molecular
mechanism of transport, nucleotide hydrolysis and inorganic phosphate exit from
the binding sites are still unanswered. In this thesis the dynamic behavior of several
ABC transporters during the ATP-hydrolytic cycle is investigated using molecular
modeling methods. The content of this thesis is compiled in three main scientific
publications [1-3], corresponding to sections 3, 4 and 5, respectively. Although
these three works are performed in prokaryotic family ABC transporters, it is likely
that eukaryotic ones use similar mechanisms for nucleotide hydrolysis, inter-domain
communication and allocrite translocation.(...)
Descrição
Dissertação para a obtenção de grau de doutor em Bioquímica
pelo Instituto de Tecnologia Química e Biológica
da Universidade Nova de Lisboa
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Contexto Educativo
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Universidade Nova de Lisboa. Instituto de Tecnologia Química e Biológica