title: A molecular model and Monte Carlo simulation of flavivirus envelope building block.
abstract: A molecular model of mature dengue virus envelope building block consisting of two E and two M protein subunits is constructed. Monte Carlo optimisation is performed for the model in the implicit membrane system. Interactions between the ectodomains and membrane parts of E and M proteins are studied, and possible role of conserved residues is suggested. The opening of E protein detergent binding site and its fixation in the open state by the M non-structured loop is observed.
authors: Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
authors: Dmitry I
authors: DI
authors: Osolodkin
authors: Liubov I
authors: LI
authors: Kozlovskaya
authors: Vladimir A
authors: VA
authors: Palyulin
authors: Vladimir M
authors: VM
authors: Pentkovski
authors: Galina G
authors: GG
authors: Karganova
authors: Nikolay S
authors: NS
authors: Zefirov
mesh_terms: D003198:Computer Simulation; D018360:Crystallography, X-Ray; D003716:Dengue Virus / Q000737:chemistry*; D008958:Models, Molecular; D009010:Monte Carlo Method; D017434:Protein Structure, Tertiary; D014759:Viral Envelope Proteins / Q000737:chemistry*
chemical_list: C051821:E-glycoprotein, Dengue virus type 2; D014759:Viral Envelope Proteins