INCLUSÃO DE EFEITOS DE PROTONAÇÃO NA SIMULAÇÃO DE PROTEÍNAS EM AMBIENTES MEMBRANARES

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Publicações

Inclusion of protonation effects in the simulation of proteins in membrane environments

Publication . Magalhães, Pedro Rafael; Baptista, António

"Electrostatic effects, such as protonation/deprotonation events, are of crucial importance in the cell, especially when they take place in membrane environments. The study of such phenomena presents several challenges, some of which have been addressed using experimental and theoretical approaches, with varying degrees of success. Theoretical or computational methods in particular are extremely useful in obtaining information that complements and helps to contextualize experimental results, providing valuable insights into mechanistic details in this type of system.(...)"

2017Tese de doutoramento

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Entidade financiadora

Fundação para a Ciência e a Tecnologia

Programa de financiamento

FARH

Número da atribuição

SFRH/BD/65709/2009