Parallel algorithms for determining protein structures

• Grant number: 16/10295-6
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: August 01, 2016
• End date: January 31, 2018
• Field of knowledge: Physical Sciences and Mathematics - Mathematics - Applied Mathematics
• Principal Investigator: José Mário Martinez Perez
• Grantee: Michael Ferreira de Souza
• Host Institution: Instituto de Matemática, Estatística e Computação Científica (IMECC). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 13/07375-0 - CeMEAI - Center for Mathematical Sciences Applied to Industry, AP.CEPID

Abstract

When exposed to powerful magnetic fields and radioactive high-frequency waves, the magnetic field of the hydrogen nuclei reacts with a specific signature which varies with the spatial arrangement of the molecules. Based on this particular signature, nuclear magnetic resonance spectroscopy (NMR) allows to infer the molecular structural conformation. This project is aimed at developing massively parallel optimization algorithms for obtaining three-dimensional structures of proteins from NMR data. (AU)