Some issues with global motion optimization

• Grant number: 06/04053-8
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: March 01, 2007
• End date: July 19, 2009
• Field of knowledge: Physical Sciences and Mathematics - Mathematics - Applied Mathematics
• Principal Investigator: José Mário Martinez Perez
• Grantee: Rodrigo Silva Lima
• Host Institution: Instituto de Matemática, Estatística e Computação Científica (IMECC). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Abstract

In this project we propose the study of nonlinear optimization methods devoted to the solution of problems whose the variables describe admissible motions for physical objects. We will work with two problems: molecule packing and protein alignment. Both problems were formulated and solved assuming that the molecules and proteins are rigid bodies subject only to rotations and translations, rigid movements. This work will be extended by admitting a more complex and realistic model in which the structures involved are flexible, in the sense that small rotations, along axes defined in the realm of Chemistry, are allowed. Customized algorithms will be developed for solving the resulting optimization problems. (AU)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

LIMA, Rodrigo Silva. Reconstruction and classification of spatial structures via continuous optimization: emphasis on proteins. 2012. Doctoral Thesis - Universidade Estadual de Campinas (UNICAMP). Instituto de Matemática, Estatística e Computação Científica Campinas, SP.