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Binding Constants of Neuraminidase Inhibitors: An Investigation of the Linear Interaction Energy Method

✍ Scribed by Wall, Ian D.; Leach, Andrew R.; Salt, David W.; Ford, Martyn G.; Essex, Jonathan W.


Book ID
127390795
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
191 KB
Volume
42
Category
Article
ISSN
0022-2623

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## Abstract A systematic study of the linear interaction energy (LIE) method and the possible dependence of its parameterization on the force field and system (receptor binding site) is reported. We have calculated the binding free energy for nine different ligands in complex with P450cam using thr