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Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.
Chérif F. Matta
Published in:
J. Comput. Chem. (2014)
Keyphrases
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electric field
structural properties
three dimensional
mathematical modeling
desirable properties
specific features
drug discovery
van der waals
pairwise
mobile robot
biological data
drug design
molecular level
desirable characteristics