The mechanism of lipid flip-flop motion is important for maintaining the asymmetric distribution of lipids in a biological membrane. To explore the energetics and mechanism of passive cholesterol flip
In this paper, I evaluate the usefulness of protein homology models in rigorous free-energy simulations to determine ligand affinities. Two templates were used to create models of the factor Xa protei
The immune checkpoint pathway of human programmed cell death 1 (hPD-1) and human programmed cell death ligand 1 (hPD-L1) is a promising target for cancer treatment. The blockade of the interplay betwe
