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. Author manuscript; available in PMC: 2020 Jan 28.

Published in final edited form as: J Chem Inf Model. 2018 Nov 27;59(1):215–228. doi: 10.1021/acs.jcim.8b00616

Figure 2. — Schematic depictions of the interaction energy calculations based on methods a) 1, b) 2, and c) 3. Protein is colored in yellow, ligand in green, and water are labeled as “w”.

Figure 2. — Schematic depictions of the interaction energy calculations based on methods a) 1, b) 2, and c) 3. Protein is colored in yellow, ligand in green, and water are labeled as “w”.