A new approach for the calculation of the energy of van der waals interactions in macromolecules of globular proteins

Van der Waals interaction energy in globular proteins is presented by the i nteraction energies between regions of protein spatial structure with homog enous medium density distribution. We introduce a notion of the local mediu m permittivity as a function of absorptance of molecular groups with partic ular conformation. Proposed theory avoids shortcomings which are typical fo r the calculations on the basis of the pairwise additive approximation. The approach takes into account local peculiarities of protein spatial structu re and physical-chemical characteristics of amino acid residues and molecul ar groups.