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The small molecule BI-2852 induces a nonfunctional dimer of KRAS.
Tran TH, Alexander P, Dharmaiah S, Agamasu C, Nissley DV, McCormick F, Esposito D, Simanshu DK, Stephen AG, Balius TE. Tran TH, et al. Among authors: balius te. Proc Natl Acad Sci U S A. 2020 Feb 18;117(7):3363-3364. doi: 10.1073/pnas.1918164117. Epub 2020 Feb 11. Proc Natl Acad Sci U S A. 2020. PMID: 32047043 Free PMC article. No abstract available.
A practical guide to large-scale docking.
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Bender BJ, et al. Among authors: balius te. Nat Protoc. 2021 Oct;16(10):4799-4832. doi: 10.1038/s41596-021-00597-z. Epub 2021 Sep 24. Nat Protoc. 2021. PMID: 34561691 Free PMC article. Review.
Publisher Correction: A practical guide to large-scale docking.
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Bender BJ, et al. Among authors: balius te. Nat Protoc. 2022 Jan;17(1):177. doi: 10.1038/s41596-021-00650-x. Nat Protoc. 2022. PMID: 34887579 No abstract available.
Energy penalties enhance flexible receptor docking in a model cavity.
Kamenik AS, Singh I, Lak P, Balius TE, Liedl KR, Shoichet BK. Kamenik AS, et al. Among authors: balius te. Proc Natl Acad Sci U S A. 2021 Sep 7;118(36):e2106195118. doi: 10.1073/pnas.2106195118. Proc Natl Acad Sci U S A. 2021. PMID: 34475217 Free PMC article.
Property-Unmatched Decoys in Docking Benchmarks.
Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu J, Young J, Tang K, Shoichet BK, Irwin JJ. Stein RM, et al. Among authors: balius te. J Chem Inf Model. 2021 Feb 22;61(2):699-714. doi: 10.1021/acs.jcim.0c00598. Epub 2021 Jan 25. J Chem Inf Model. 2021. PMID: 33494610 Free PMC article.
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. 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.
25 results