A specific inhibitor design approach by
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T. Fujita
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Article
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1987
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John Wiley and Sons
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English
โ 475 KB
A 27-picosecond (ps) molecular dynamics calculation has been carried out for the 1:2 enzyme-ligand complex between porcine pancreatic elastase (PPE) and acetyl-alanine-proline-alanine (APA). A data analysis has been carried out using a total of 450 structures. During the simulation, the root-mean-sq