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Role of bound water in protein-ligand association processes

✍ Scribed by Noskov, S. Yu. ;Kiselev, M. G. ;Kolker, A. M.

Book ID
110157193
Publisher
Biophysical Society of Japan
Year
2010
Tongue
English
Weight
159 KB
Volume
55
Category
Article
ISSN
1349-2942

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## Abstract The accurate calculation of the free energy of interaction of protein‐water‐ligand systems has an important role in molecular recognition and drug design that is often not fully considered. We report free energy thermodynamic integration calculations used to evaluate the effects of incl