COMPARATIVE DENSITY FUNCTIONAL THEORY, DENSITY FUNCTIONAL TIGHT BINDING AND FORCE FIELD STUDIES OF AMINOACIDS, PEPTIDES AND PEPTIDE-TITANIA INTERFACES: BRINGING AB INITIO ACCURACY TO BIOMOLECULAR SIMULATIONS

• Main Author: LI WENXUAN
• Other Authors: MECHANICAL ENGINEERING
• Format: Theses and Dissertations
• Language: English
• Published: 2016
• Subjects: DFT， DFTB， FFMD， Biomoleculs, Bioinorganic Interfaces, Simulation
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/126079
• Institution: National University of Singapore

Master's