Influence of the environment on protein bond energies

• Tipo: Artigo em Revista Científica Internacional
• Data: 2014

Autores

Joao T S Coimbra (Autor) Outra; Rui P P Neves (Autor) Outra; Oscar Passos (Autor) Outra; Daungruthai Jarukanont (Autor) Outra; Pedro A Fernandes (Autor) FCUP; Shekhar Patel (Autor) Outra; Martin E Garcia (Autor) Outra; Maria J Ramos (Autor) FCUP

Revista

Título: Chemical Physics Letters

Vol. 615

Páginas: 75-82

ISSN: 0009-2614

Editora: Elsevier

Indexação

ISI Web of Knowledge - 0 Citações

Scopus - 0 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-009-ZMC

DOI: 10.1016/j.cplett.2014.09.066

Abstract (EN): We provide potential energy surfaces for the stretching of bonds within the active center of topoisomerase, taking into account increasing levels of complexity for the representation of the system as well as conformational effects. The reported data support the specificity that the composition of the molecules, their environment and the conformational effects of the system can bring to bond-breaking reactions. These findings further the idea that the environmental dependence can be used to selectively induce (or suppress) the breaking of a bond between two particular atoms depending on the surrounding groups.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 8