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Article ID: 683 - Last Modified:

For charged ligands, is there any distinction between SP and XP?

The XP GlideScore is different from the HTVS/SP GlideScore (though they share many terms), so there will be differences in how charged groups are treated. For example, XP includes (in the "Penalties" term) a penalty for placing non-salt-bridge charged ligand atoms in a region without water (XP waters). The Coulomb interaction term, also, is included with different weights in XP and in SP.

Keywords: XP GlideScore, SP GlideScore

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