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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?

Fig. 3

Most similar charged and neutralized conformers superimposed onto the crystal conformation. a (PDB ID: W2X): superposition of the most similar charged conformer onto the crystal conformation, b (PDB ID: W2X): superposition of the most similar neutralized conformer onto the crystal conformation, c (PDB ID: OCV): superposition of the most similar charged conformer onto the crystal conformation, d (PDB ID: OCV): superposition of the most similar neutralized conformer onto the crystal conformation. Green crystal conformation, orange charged conformation, plum neutralized conformation

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