Issue April 2000
Volume 17No. 5 (p 769-932) April 2000 ISSN 0739-1102 A New Approach for the Calculation of the Energy of van der Waals Interactions in Macromolecules of Globular Proteins (p. 799-810)Van der Waals interaction energy in globular proteins is presented by the interaction energies between regions of protein spatial structure with homogenous medium density distribution. We introduce a notion of the local medium permittivity as a function of absorptance of molecular groups with particular conformation. Proposed theory avoids shortcomings which are typical for the calculations on the basis of the pairwise additive approximation. The approach takes into account local peculiarities of protein spatial structure and physical-chemical characteristics of amino acid residues and molecular groups.
Igor N. Berezovsky1,2,a* 1Department of Structural Biology Subscription is more cost effective than purchasing PDFs on-the-fly. Click here for details. |
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