Experiences on memetic computation for locating transition states in biochemical applications

• Main Authors: Ellabaan, Mostafa Mostafa Hashim, Ong, Yew Soon
• Other Authors: School of Computer Engineering
• Format: Conference or Workshop Item
• Language: English
• Published: 2013
• Subjects: DRNTU::Engineering::Computer science and engineering
• Online Access: https://hdl.handle.net/10356/100754; http://hdl.handle.net/10220/16295
• Institution: Nanyang Technological University

Transition states constitute an essential component of the chemical reaction rate theory and are important for understanding the structural and mechanical properties of the systems, and how they react under different environmental conditions. The challenges behind the discovery of transition states...