Comparative molecular dynamics of two cyclic peptide inhibitors bound to the Zika virus NS2B/NS3 protease
The Zika virus NS2B/NS3 protease is an important antiviral target, and macrocyclic peptide inhibitors represent promising scaffolds because they combine multibasic recognition motifs with conformational restriction. Here, we investigated two structurally related cyclic peptide inhibitors, referred to as CP1 and CP2, wh...