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Testing inhomogeneous solvation theory in structure-based ligand discovery.
Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK. Balius TE, et al. Among authors: fischer m. Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):E6839-E6846. doi: 10.1073/pnas.1703287114. Epub 2017 Jul 31. Proc Natl Acad Sci U S A. 2017. PMID: 28760952 Free PMC article.
The Recognition of Unrelated Ligands by Identical Proteins.
Pottel J, Levit A, Korczynska M, Fischer M, Shoichet BK. Pottel J, et al. Among authors: fischer m. ACS Chem Biol. 2018 Sep 21;13(9):2522-2533. doi: 10.1021/acschembio.8b00443. Epub 2018 Aug 27. ACS Chem Biol. 2018. PMID: 30095890 Free PMC article.
Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Stachowski TR, Vanarotti M, Seetharaman J, Lopez K, Fischer M. Stachowski TR, et al. Among authors: fischer m. Angew Chem Int Ed Engl. 2022 Aug 1;61(31):e202112919. doi: 10.1002/anie.202112919. Epub 2022 Jun 21. Angew Chem Int Ed Engl. 2022. PMID: 35648650 Free PMC article.
Conformation-independent structural comparison of macromolecules with ProSMART.
Nicholls RA, Fischer M, McNicholas S, Murshudov GN. Nicholls RA, et al. Among authors: fischer m. Acta Crystallogr D Biol Crystallogr. 2014 Sep;70(Pt 9):2487-99. doi: 10.1107/S1399004714016241. Epub 2014 Aug 29. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 25195761 Free PMC article.
6,077 results