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. 2021 Dec 23;9:808864. doi: 10.3389/fcell.2021.808864

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Copyright © 2021 Liang, Wang, Qi, Liu, Li, Lu, Mou and Chen.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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The free energy landscape of the first and second principal components (PC1 vs PC2) from MD simulations of the ALK–lorlatinib (A), ALK^{I1171N−F1174I}–lorlatinib (B), ALK–gilteritinib (C), and ALK^{I1171N−F1174I}–gilteritinib (D). The unit of free-energy values is kcal/mol.