On mining protein unfolding simulation data with inductive logic programming

• Type: Article in International Conference Proceedings Book
• Date: 2008

Authors

Rui Camacho (Author) FEUP; Alexessander Alves (Author) Other; Cândida G. Silva (Author) Other; Rui M. M. Brito (Author) Other

Conference proceedings International

Title: 2nd International Workshop on Practical Applications of Computational Biology & Bioinformatics (IWPACBB 2008)

Pages: 175-179

2nd International Workshop on Practical Applications of Computational Biology & Bioinformatics (IWPACBB 2008)

Salamanca, Espanha, Outubro 2008

Indexing

ISI Web of Science

Scientific classification

FOS: Engineering and technology > Electrical engineering, Electronic engineering, Information engineering

CORDIS: Technological sciences > Engineering > Knowledge engineering

Other information

DOI: 10.1007/978-3-540-85861-4_21

Abstract (EN): The detailed study of folding and unfolding events in proteins is becoming central to develop rational therapeutic strategies against maladies such as Alzheimer and Parkinson disease. A promising approach to study the unfolding processes of proteins is through computer simulations. However, these computer simulations generate huge amounts of data that require computational methods for their analysis. In this paper we report on the use of Inductive Logic Programming (ILP) techniques to analyse the trajectories of protein unfolding simulations. The paper describes ongoing work on one of several problems of interest in the protein unfolding setting. The problem we address here is that of explaining what makes secondary structure elements to break down during the unfolding process. We tackle such problem collecting examples of contexts where secondary structures break and (automatically) constructing rules that may be used to suggest the explanations.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 5