Author: Leili Zhang; David R. Bell; Binquan Luan; Ruhong Zhou
Title: Exploring the Binding Mechanism between Human Profilin (PFN1) and Polyproline-10 through Binding Mode Screening Document date: 2018_9_16
ID: 40pe21lm_47
Snippet: Additionally, PFN1 C-terminus plays an important role in the final binding interfaces of mode6, mode7, mode8, mode9 and mode11. Without doubt, MD simulations (with the OPLS-AA force field) are capable to capture relevant binding features between PFN1 and P10. To further investigate if direct MD data are sufficient to warrant a reliable way of ranking the binding structures, we make several measurements discussed below......
Document: Additionally, PFN1 C-terminus plays an important role in the final binding interfaces of mode6, mode7, mode8, mode9 and mode11. Without doubt, MD simulations (with the OPLS-AA force field) are capable to capture relevant binding features between PFN1 and P10. To further investigate if direct MD data are sufficient to warrant a reliable way of ranking the binding structures, we make several measurements discussed below.
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