Characterizing the conformational landscape of MDM2-binding p53 peptides using molecular dynamics simulations

• Main Authors: Yadahalli, Shilpa, Li, Jianguo, Lane, David P., Gosavi, Shachi, Verma, Chandra Shekhar
• 其他作者: School of Biological Sciences
• 格式: Article
• 語言: English
• 出版: 2018
• 主題: Computational Biology and Bioinformatics; Drug Discovery
• 在線閱讀: https://hdl.handle.net/10356/89518; http://hdl.handle.net/10220/44983
• 機構: Nanyang Technological University

The conformational landscapes of p53 peptide variants and phage derived peptide (12/1) variants, all known to bind to MDM2, are studied using hamiltonian replica exchange molecular dynamics simulations. Complementing earlier observations, the current study suggests that the p53 peptides largely foll...