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Figure 2 | BMC Bioinformatics

Figure 2

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

Figure 2

Distribution of minimum RMSD between the bioactive conformations and their best fitting conformations for the five conformational sampling methods (FFBM and MECBM in Cyndi, LMCS, MCMM and torsional/low-mode sampling). Both FFBM and MECBM are cooperated with MMFF94 force field, all the three methods in MacroModel are cooperated with MMFFs force field.

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BMC Bioinformatics

ISSN: 1471-2105

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