Abstract
In view of the recent development of polarizable force fields namely polarizable hydrogen bond (PHB) and semi-fluctuating charge (SFC) developed by Zhang’s group, we would like to explore the effects of these two models on side chain-side chain interactions through the simulation of two β-hairpins. The results show that the PHB model strengthens but the SFC model weakens side chain-side chain interactions in our studies. Through this study, we aim to have a more comprehensive understanding of these two models which only focus on the charge updating of backbone atoms.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
