Macrostate identification from biomolecular simulations through time series analysis

• Main Authors: Zhou, Weizhuang., Motakis, Efthimios., Fuentes, Gloria., Verma, Chandra S.
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2013
• Subjects: DRNTU::Science::Biological sciences
• Online Access: https://hdl.handle.net/10356/105296; http://hdl.handle.net/10220/17682; http://dx.doi.org/10.1021/ci300341v
• Institution: Nanyang Technological University

This paper builds upon the need for a more descriptive and accurate understanding of the landscape of intermolecular interactions, particularly those involving macromolecules such as proteins. For this, we need methods that move away from the single conformation description of binding events, toward...