Molecular dynamics of amino acids and peptides in aqueous solution

• Grant number: 05/01577-3
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: October 01, 2005
• End date: July 31, 2007
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Munir Salomao Skaf
• Grantee: Érica Teixeira Prates
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Abstract

The project seeks to introduce the undergraduate student to the Molecular Dynamics of aminoacids and small peptides in aqueous solutions and to prepare her for future graduate studies in this area or related fields. The initial focus of this project is on the hydration structures, solute-solvent H-bonding, and reorientational dynamics of the water molecules in the close vicinity of the biomolecules. MD computer simulations will be used for that purpose, in continuity to ongoing research in our group.