Molecular mechanism of ligand bindings to Zika virus at SAM site

• المؤلفون الرئيسيون: Liu, Xiao, Zhao, Yang, Zhang, John Z. H.
• مؤلفون آخرون: School of Materials Science and Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2021
• الموضوعات: Engineering::Materials; NS5 Methyltransferase; Interaction Entropy
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/150707
• المؤسسة: Nanyang Technological University

We investigated residue-specific binding free energies using computational alanine scanning with interaction entropy method to identify hot-spots and unravel molecular basis in 3 ligand bindings to Zika SAM binding site. This approach allows one to obtain quantitatively residue-specific contribution...