The search for a new model structure of beta-Factor XIIa

• Type: Article in International Scientific Journal
• Date: 2001

Authors

Henriques, ES (Author) Other; Floriano, WB (Author) Other; Reuter, N (Author) Other; Melo, A (Author) FCUP; Brown, D (Author) Other; Gomes, JANF (Author) FCUP; Maigret, B (Author) Other; Nascimento, MAC (Author) Other; Ramos, MJ (Author) FCUP

Journal

Title: Journal of Computer-Aided Molecular Design

Vol. 15

Pages: 309-322

ISSN: 0920-654X

Publisher: Springer Nature

Indexing

ISI Web of Knowledge - 8 Citations

Scopus - 7 Citations

Scientific classification

FOS: Natural sciences > Computer and information sciences

Other information

Authenticus ID: P-000-VZA

DOI: 10.1023/a:1011128521816

Abstract (EN): We present the search for a new model of beta -factor XIIa, a blood coagulation enzyme, with an unknown experimental 3D-structure. We decided to build not one but three different models using different homologous proteins as well as different techniques and different modellers. Additional studies, including extensive molecular dynamics simulations on the solvated state, allowed us to draw several conclusions concerning homology modelling, in general, and beta -factor XIIa, in particular.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 14