Ab initio calculation of the anisotropic/ring current effects of amino acid residues to locate the position of substrates in the binding site of enzymes
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference24 articles.
1. Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
2. Theoretical study of conformation and dynamic behaviour of [3.3]orthocyclophane and heterocyclic analogues
3. NMR spectroscopic and theoretical study of the complexation of the inhibitor allosamidin in the binding pocket of the plant chitinase hevamine
4. NMR applications for solid-phase synthesis: Part I. Suppression of residual polymer signals in 1D1H NMR spectroscopy of polymer-supported species
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