The van der Waals interaction between protein molecules in an electrolyte solution.
In this report we present a general formulation to calculate the van der Waals interaction between two protein molecules in an electrolyte solution using boundary element method of solving linearized Poisson-Boltzmann equation. Our formulation is based upon an inhomogeneous dielectric model of proteins at the residue level. Our results for bovine pancreatic trypsin inhibitor at various relative orientations indicate that the anisotropy of the interaction can be tens of kBT.
Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA. xsong@iastate.edu
Xueyu
X
Song
Xuefeng
X
Zhao
D001665:Binding Sites; D003198:Computer Simulation; D004563:Electrochemistry / Q000379:methods; D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry*; D012996:Solutions; D055672:Static Electricity
D004573:Electrolytes; D011506:Proteins; D012996:Solutions