Virtual screen for candidate inhibitors of EBOLA virus infection
Calculation of molecular descriptors determining specific recognition and
targeting between interacting biological molecules at distances >5 Å.
Electronion interaction potential (EIIP) is defined by ^{[1,2,3]}:
(1)
Where Z^{*} is the average quasivalence number (AQVN) determined by:
(2)
where Z_{i} is the valence number of the ith atomic component, n_{i} is the number of atoms of
the ith component, m is the number of atomic components in the molecule, and N is the total
number of atoms. EIIP values calculated according to equations (1) and (2) are expressed in Rydberg units (Ry).
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 Veljkovic V: A theoretical approach to preselection of carcinogens and chemical carcinogenesis. New York: Gordon & Breach. 1980.
 Veljkovic V, Slavic I: Simple generalmodel pseudopotential. Phys Rev Lett. 1972; 29: 1057.
 Veljkovic V: The dependence of the Fermi energy on the atomic number. Phys Lett. 1973; 45A: 412.

