Molecular dynamics simulation with improved polarized protein-specific charge

• المؤلف الرئيسي: Wei, Caiyi
• مؤلفون آخرون: Zhang Dawei
• التنسيق: Theses and Dissertations
• اللغة: English
• منشور في: 2013
• الموضوعات: DRNTU::Science::Chemistry::Physical chemistry::Quantum chemistry; DRNTU::Science::Biological sciences::Biochemistry; DRNTU::Science::Chemistry::Physical chemistry::Molecular structure and bonding; DRNTU::Science::Chemistry::Analytical chemistry::Proteins
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/53521
• المؤسسة: Nanyang Technological University

Development of force fields is important for investigating various biological processes by using molecular dynamics simulations. The majority of the force fields treat the electronic polarizability implicitly, which limit the accuracy of molecular models for some biological systems. One newly develo...