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Summary of MMGBSA and LIE analysis for CATCH two stacked bilayer structures.

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https://figshare.com/articles/dataset/Summary_of_MMGBSA_and_LIE_analysis_for_CATCH_two_stacked_bilayer_structures_/24726042
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MMGBSA values for VDW and ELE energies are calculated by considering the interactions between the top bilayer and the bottom bilayer. LIE values for VDW energies are calculated by considering only the sidechain-sidechain interactions between the charged residues on the top bilayer and the bottom bilayer. Values listed are averaged over three independent simulations.
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2023-12-04
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