BioMed Consulting

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.

Electron-ion interaction potential (EIIP) is defined by [1,2,3]:


Where Z* is the average quasi-valence number (AQVN) determined by:


where Zi is the valence number of the i-th atomic component, ni is the number of atoms of the i-th 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).

Please input your personal information. We will protect yout privacy. We do not share your information with any outside parties.

This service is free for any academic and non profitable use. You are free to use our software tool for maximum 100 compounds. For additional use and analysis please send us the list of compounds and contact us on email:

Your Name * 
Email * 
Affiliation * 
Purpose of use * 

Enter molecular formulas of compounds. Put each formula in separate line. (Maximum 100 compounds)
I agree with the
terms of use 

  1. Veljkovic V: A theoretical approach to preselection of carcinogens and chemical carcinogenesis. New York: Gordon & Breach. 1980.
  2. Veljkovic V, Slavic I: Simple general-model pseudopotential. Phys Rev Lett. 1972; 29: 105-7.
  3. Veljkovic V: The dependence of the Fermi energy on the atomic number. Phys Lett. 1973; 45A: 41-2.