The van der Waals interaction between protein molecules in an electrolyte solution | Zendy

Xueyu Song | Zendy; Xuefeng Zhao | Zendy

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The van der Waals interaction between protein molecules in an electrolyte solution

Author(s) -

Xueyu Song,

Xuefeng Zhao

Publication year - 2004

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1634955

Subject(s) - van der waals force , electrolyte , molecule , chemistry , dielectric , poisson–boltzmann equation , dlvo theory , anisotropy , physics , thermodynamics , computational chemistry , chemical physics , ion , quantum mechanics , colloid , organic chemistry , electrode

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.

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