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Volumn 125, Issue 19, 2003, Pages 5598-5599

Charge optimization increases the potency and selectivity of a chorismate mutase inhibitor

Author keywords

[No Author keywords available]

Indexed keywords

CHORISMATE MUTASE; ENZYME INHIBITOR;

EID: 0037621429     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja029447t     Document Type: Article
Times cited : (31)

References (29)
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    • note
    • The effect of the C terminus was modeled computationally by adding a 16 Å radius low-dielectric sphere centered on the bound ligand (ref 9). The recalculated average electrostatic binding advantage of 5 over 4 decreased to 1.1 ± 3.3 kcal/mol but the standard deviation increased substantially.


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