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Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method.
Sun Y, He X, Hou T, Cai L, Man VH, Wang J. Sun Y, et al. Among authors: hou t. J Comput Chem. 2023 May 30;44(14):1334-1346. doi: 10.1002/jcc.27089. Epub 2023 Feb 21. J Comput Chem. 2023. PMID: 36807356 Review.
Exploring the activation mechanism of metabotropic glutamate receptor 2.
Zhu X, Luo M, An K, Shi D, Hou T, Warshel A, Bai C. Zhu X, et al. Among authors: hou t. Proc Natl Acad Sci U S A. 2024 May 21;121(21):e2401079121. doi: 10.1073/pnas.2401079121. Epub 2024 May 13. Proc Natl Acad Sci U S A. 2024. PMID: 38739800 Free PMC article.
1,989 results