Pub. Date : 2022 Feb
PMID : 34955621
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
1 | The increase in the number of interface residues, interface area and intermolecular forces such as hydrogen bonds, salt bridges and non-bonded contacts corroborated with the increase in the binding affinity of the spike mutants to ACE2. | Hydrogen | surface glycoprotein | Severe acute respiratory syndrome coronavirus 2 |
2 | Further, 75 ns all-atom molecular dynamics simulation investigations show variations in the geometric properties such as root mean square deviation (RMSD), radius of gyration (Rg), total solvent accessible surface area (SASA) and number of hydrogen bonds (NHBs) in the mutant spike:ACE2 complexes with respect to the native spike:ACE2 complex. | Hydrogen | surface glycoprotein | Severe acute respiratory syndrome coronavirus 2 |