Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens
The full-length prefusion-stabilized SARS-CoV-2 spike (S) is the principal antigen of COVID-
19 vaccines. Vaccine efficacy has been impacted by emerging variants of concern that …
19 vaccines. Vaccine efficacy has been impacted by emerging variants of concern that …
Partition analysis of dipole moments in solution applied to functional groups in polypeptide motifs
DG Fedorov - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
A partition analysis based on segments is developed for density functional theory defining
solute dipole moments of functional groups, and the corresponding induced solvent dipoles …
solute dipole moments of functional groups, and the corresponding induced solvent dipoles …