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Figure 4 | BMC Bioinformatics

Figure 4

From: Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods

Figure 4

Heat map showing the energies (in kcal/mol) of conformers obtained by the same test protocols used in Figure 3. The scale of each molecule panel covers the full range of energy encountered across all conformations within the energy threshold window (20 kcal/mol above the global lowest energy identified by each test run). The intensity of the cell colour is proportional to the fractions of conformations that fall in each bin.

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BMC Bioinformatics

ISSN: 1471-2105

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