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A possible involvement of solvent-induced interactions in drug design
1Department of Physical Chemistry, The Hebrew University of Jerusalem, Israel.
Journal of Medicinal Chemistry
|March 29, 1996
Abstract:
We propose to study a new factor in designing new drugs. Most approaches to the drug design problem focus on the direct interactions between the drug and the corresponding target. We propose to study specific solvent-induced effects that can contribute to the binding Gibbs energy between the drug and its target. We estimate that these indirect effects will contribute significantly to the binding affinity and hopefully improve the clinical efficiency of the drugs.