Molecular Biological Systems

Research Activity:
The prediction of the structure, conformational dynamics and protein activities from information sequences, is one of the most important challenges of modern molecular biology. In this project, we propose the development and application of new computational prediction methods of dynamic structural properties and molecular recognition of peptides and proteins. In particular, we intend to develop methods based on the combination and optimization of low and high resolution conformation sampling methods and high-performance computing. This project has the following specific objectives: development of methods for protein folding and misfolding prediction. Prediction and characterization of local-folding-unfolding phenomena in proteins with known structure and that are involved in metabolic pathways relevant to the development of cancer. The study of the role of these phenomena in recognition of binders. Rational development of new molecules with pharmacological activity for the control of mis-folding phenomena and interaction with flexible receptors. Use of these concepts for the development of focusing methods on drug-libraries.

Full title:
Simulations of Molecular Biological Systems

Project:
INT.P02 / Bioinformatics

Research Area code:
INT.P02.001 / Simulations of Molecular Biological Systems

Research Units:

Molecular Simulations Biological Systems

Institute responsible for the Research Area:
Chemical Institute for molecular identification (ICRM)

Institute repsonisble for the Reserch Unit:

Activity start date:
2007

Forseen end date of activity :
2011

Status:
Proposal for continuation

SIGLA code:
3466

Surname:
Colombo