Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17ő≤-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.
Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17ő≤-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.
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Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17ő≤-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.
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