Spike protein binding prediction with neutralizing antibodies of SARS-CoV-2

Tamina Park; Sang-Yeop Lee; Seil Kim; Mi Jeong Kim; Hong Gi Kim; Sangmi Jun; Seung Il Kim; Bum Tae Kim; Edmond Changkyun Park; Daeui Park

To suggest S-RBD binding antibody, antibody-RBD docking comparisons were performed using the mean value 218 of caculated scores from the generated models. The mean scores of the docking simulation are shown in Table 2. 219 Among the SARS-CoV antibodies, only CR3022 showed that the binding affinity of SARS-CoV-2 was 220 higher than SARS-CoV. In addition, the docking score distribution of CR3022 was significantly changed 221 between SARS-CoV-2 and SARS-CoV-2 (Fig. 4) . For the CR3022 antibody, the mean score of binding affinity 222 was increased from -11.21 dG score (SARS-CoV, crystal structure) to -13.91 dG score (SARS-CoV-2, cryo-EM 223 structure) with a p-value of 0.00367. The binding affinity of all antibody-antibgen docking was tested using 224 1000 generated structures. Interestingly, the CR3022 was experimentally performed for the binding effect of 225 SARS-CoV-2 S-RBD [14] . The researchers found that the CR3022 had the binding effect anainst SARS-CoV-2 author/funder. All rights reserved. No reuse allowed without permission. The copyright holder for this preprint (which was not peer-reviewed) is the . https: //doi.org/10.1101 //doi.org/10. /2020 Tables 375 A 376 377 378 author/funder. All rights reserved. No reuse allowed without permission.