Table 3 Five selected molecules and their -CDIEY values.

From: Identification of potential modulators for human GPD1 by docking-based virtual screening, molecular dynamics simulations, binding free energy calculations, and DeLA-drug analysis

Entry

ID number

Structure

CDIEY (kcal/mol)

1

ZINC000585101368

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− 64.6131

2

ZINC000225627518

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− 62.9450

3

ZINC000049780570

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− 66.1754

4

ZINC000058282139

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− 64.4536

5

ZINC000077257642

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− 66.4986

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