Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculations†
Abstract
QM/MM calculations show that the potency of a range of
* Corresponding authors
a
Department of Chemistry, University of Manchester, Oxford Road, Manchester, UK
E-mail:
ian.hillier@man.ac.uk
QM/MM calculations show that the potency of a range of
M. P. Gleeson, N. A. Burton and I. H. Hillier, Chem. Commun., 2003, 2180 DOI: 10.1039/B305790A
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