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Page 1
Computational approaches to mapping allosteric pathways.
Feher VA, Durrant JD, Van Wart AT, Amaro RE. Feher VA, et al. Curr Opin Struct Biol. 2014 Apr;25:98-103. doi: 10.1016/j.sbi.2014.02.004. Epub 2014 Mar 22. Curr Opin Struct Biol. 2014. PMID: 24667124 Free PMC article. Review.
Molecular docking to flexible targets.
Sørensen J, Demir Ö, Swift RV, Feher VA, Amaro RE. Sørensen J, et al. Methods Mol Biol. 2015;1215:445-69. doi: 10.1007/978-1-4939-1465-4_20. Methods Mol Biol. 2015. PMID: 25330975
POVME 3.0: Software for Mapping Binding Pocket Flexibility.
Wagner JR, Sørensen J, Hensley N, Wong C, Zhu C, Perison T, Amaro RE. Wagner JR, et al. J Chem Theory Comput. 2017 Sep 12;13(9):4584-4592. doi: 10.1021/acs.jctc.7b00500. Epub 2017 Aug 30. J Chem Theory Comput. 2017. PMID: 28800393 Free PMC article.
Determinants of Oligonucleotide Selectivity of APOBEC3B.
Wagner JR, Demir Ö, Carpenter MA, Aihara H, Harki DA, Harris RS, Amaro RE. Wagner JR, et al. J Chem Inf Model. 2019 May 28;59(5):2264-2273. doi: 10.1021/acs.jcim.8b00427. Epub 2018 Sep 10. J Chem Inf Model. 2019. PMID: 30130104 Free PMC article.
76 results