Author: Cecylia S. Lupala; Xuanxuan Li; Jian Lei; Hong Chen; Jianxun Qi; Haiguang Liu; Xiao-dong Su
Title: Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein Document date: 2020_3_27
ID: kifqgskc_45
Snippet: The high quality homology model allowed us to start the simulation analysis before the high resolution experimental data became available. The protein structure prediction community are making efforts to provide high quality models using advanced modeling and prediction methods [32] [33] [34] [35] . Based on predicted and experimentally determined structures, molecular dynamics simulations will add more insights to the molecular mechanism and all.....
Document: The high quality homology model allowed us to start the simulation analysis before the high resolution experimental data became available. The protein structure prediction community are making efforts to provide high quality models using advanced modeling and prediction methods [32] [33] [34] [35] . Based on predicted and experimentally determined structures, molecular dynamics simulations will add more insights to the molecular mechanism and allow better probing properties due to mutation or modification to proteins.
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