Selected article for: "docking approach and experimental structure"
Author: Qiang Huang; Andreas Herrmann
Title: Fast assessment of human receptor-binding capability of 2019 novel coronavirus (2019-nCoV)
  • Document date: 2020_2_3
    • ID: eecyduzq_12
    Snippet: Significantly, the number of the native-like models among the top five scores (N5) is 5; also, their interface RMSDs are within 1.5 Ã…. Therefore, the lowest-energy conformations identified by the docking approach are almost identical to the experimental structure (PDB 2AJF). This provides a very solid basis for using this approach to investigate the S-RBD-ACE2 interactions of 2019-nCoV, in which no experimental complex structure is available bec.....
    Document: Significantly, the number of the native-like models among the top five scores (N5) is 5; also, their interface RMSDs are within 1.5 Ã…. Therefore, the lowest-energy conformations identified by the docking approach are almost identical to the experimental structure (PDB 2AJF). This provides a very solid basis for using this approach to investigate the S-RBD-ACE2 interactions of 2019-nCoV, in which no experimental complex structure is available because of time limitation, but only the firstdetermined genome data that can be used to predict the 2019-nCoV S-RBD structure.

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