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Methods in Molecular Biology (Clifton, N.J.)|June 19, 2016
Structure-Based Virtual Screening of Commercially Available Compound LibrariesDmitri KireevJournal of Chemical Information and Modeling|December 3, 2019
Off-Pocket Activity Cliffs: A Puzzling Facet of Molecular RecognitionTigran M Abramyan, Yi An, Dmitri KireevJournal of Computational Chemistry|December 21, 2011
Assessment of free energy predictors for ligand binding to a methyllysine histone code readerCen Gao, J Martin Herold, Dmitri KireevIscience|July 8, 2022
A simulation model of heterochromatin formation at submolecular detailMichael R Williams, Yan Xiaokang, Nathaniel A Hathaway, et al.Journal of Chemical Information and Modeling|May 7, 2026
The Last Mile Problem: A Critical Assessment of Physics-Based and AI Tools for Small Molecule Binding Prediction in Virtual ScreeningXiaowen Wang, Hamza Hentabli, Akhila Mettu, et al.Structure (London, England : 1993)|April 9, 2019
Dynamics of Substrate Processing by PPIP5K2, a Versatile Catalytic MachineYi An, Henning J Jessen, Huanchen Wang, et al.Assay and Drug Development Technologies|December 24, 2011
High-throughput screening for RecA inhibitors using a transcreener adenosine 5'-O-diphosphate assayEliza J R Peterson, William P Janzen, Dmitri Kireev, et al.ACS Chemical Biology|December 9, 2022
Enzymatic Macrolactamization of mRNA Display Libraries for Inhibitor SelectionMatthew M Bowler, Marta Glavatskikh, Chad V Pecot, et al.Journal of the American Chemical Society|March 25, 2011
Biophysical probes reveal a "compromise" nature of the methyl-lysine binding pocket in L3MBTL1Cen Gao, J Martin Herold, Dmitri Kireev, et al.PNAS Nexus|April 6, 2023
Relationship between lysine methyltransferase levels and heterochromatin gene repression in living cells and in silicoXiaokang Yan, Michael R Williams, Ameriks D Barboza Castillo, et al.Pageof 6