Figure 7 | Scientific Reports

Figure 7

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

Figure 7

Per-residue decomposition. (a) Energy decomposition of complex Compound 4-GPD1. (b) Energy decomposition of complex ZINC000049780570-GPD1. (c) Energy decomposition of complex ZINC000058282139-GPD1. (d) Energy decomposition of complex ZINC000077257642-GPD1. (e) Energy decomposition of complex ZINC000225627518-GPD1. (f) Energy decomposition of complex ZINC000585101368-GPD1.

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