Improved prediction of HIV-1 protease-in
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Ekachai Jenwitheesuk; Ram Samudrala
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Article
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2003
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BioMed Central
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English
β 710 KB
## 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