Fig. 6.
a Snapshots of a functionalized nanocarrier forming one, two, and three simultaneous bonds with the receptor molecules expressed on the membrane surface. RNC and RM denote the center of mass position of the nanocarrier and membrane respectively. b The potential of mean force 𝒲bond as a function of |RNC − RM| for four different ensembles computed using umbrella sampling and WHAM. c The relative free energy difference Δℱbond between a nanocarrier with zero and one antigen-antibody bonds, and d the absolute free energy of the system obtained by combining the PMF obtained using WHAM the relative free energy obtained using TI