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Figure 3 | BMC Bioinformatics

Figure 3

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

Figure 3

Heat map showing the distribution of gyration radius of the conformers obtained by each test protocols designed for FFBM and MECBM. The names of the different protocols are defined as M-F where M is the method chosen to execute conformational sampling job, F is the type of force field adopted. The scale of each molecule panel covers the full range of gyration radius 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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