Influence of the environment on protein bond energies

• Type: Article in International Scientific Journal
• Date: 2014

Authors

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

Journal

Title: Chemical Physics Letters

Vol. 615

Pages: 75-82

ISSN: 0009-2614

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 0 Citations

Scopus - 0 Citations

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 8