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Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand

โœ Scribed by Gordon Lemmon; Kristian Kaufmann; Jens Meiler


Book ID
114853988
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
894 KB
Volume
79
Category
Article
ISSN
1747-0277

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## Background: The accurate prediction of enzyme-substrate interaction energies is one of the major challenges in computational biology. this study describes the improvement of protein-ligand binding energy prediction by incorporating protein flexibility through the use of molecular dynamics (md) s