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Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis.

Park SW, Casalena DE, Wilson DJ, et al. Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis. Chem Biol. 2015;22(1):76-86. doi:10.1016/j.chembiol.2014.11.012

CRISPR-Cas9 Mediated DNA Unwinding Detected Using Site-Directed Spin Labeling.

Tangprasertchai NS, Di Felice R, Zhang X, et al. CRISPR-Cas9 Mediated DNA Unwinding Detected Using Site-Directed Spin Labeling. ACS Chem Biol. 2017;12(6):1489-1493. doi:10.1021/acschembio.6b01137

Subtly Modulating Glycogen Synthase Kinase 3 β: Allosteric Inhibitor Development and Their Potential for the Treatment of Chronic Diseases.

Palomo V, Perez DI, Roca C, et al. Subtly Modulating Glycogen Synthase Kinase 3 β: Allosteric Inhibitor Development and Their Potential for the Treatment of Chronic Diseases. J Med Chem. 2017;60(12):4983-5001. doi:10.1021/acs.jmedchem.7b00395

Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription.

Belashov IA, Crawford DW, Cavender CE, et al. Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription. Nucleic Acids Res. 2018;46(13):6401-6415. doi:10.1093/nar/gky529

Binding Mode and Structure-Activity Relationships of ITE as an Aryl Hydrocarbon Receptor (AhR) Agonist.

Dolciami D, Gargaro M, Cerra B, et al. Binding Mode and Structure-Activity Relationships of ITE as an Aryl Hydrocarbon Receptor (AhR) Agonist. ChemMedChem. 2018;13(3):270-279. doi:10.1002/cmdc.201700669

Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor.

Qian Y, de Vaca IC, Vilseck JZ, Cole DJ, Tirado-Rives J, Jorgensen WL. Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor. J Phys Chem B. 2019;123(41):8675-8685. doi:10.1021/acs.jpcb.9b07588

Development and Testing of the OPLS-AA/M Force Field for RNA.

Robertson MJ, Qian Y, Robinson MC, Tirado-Rives J, Jorgensen WL. Development and Testing of the OPLS-AA/M Force Field for RNA. J Chem Theory Comput. 2019;15(4):2734-2742. doi:10.1021/acs.jctc.9b00054

Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding.

de Vaca IC, Qian Y, Vilseck JZ, Tirado-Rives J, Jorgensen WL. Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding. J Chem Theory Comput. 2018;14(6):3279-3288. doi:10.1021/acs.jctc.8b00031

Structure and ubiquitination-dependent activation of TANK-binding kinase 1.

Tu D, Zhu Z, Zhou AY, et al. Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep. 2013;3(3):747-58. doi:10.1016/j.celrep.2013.01.033

Immunogenetics. Dynamic profiling of the protein life cycle in response to pathogens.

Jovanovic M, Rooney MS, Mertins P, et al. Immunogenetics. Dynamic profiling of the protein life cycle in response to pathogens. Science. 2015;347(6226):1259038. doi:10.1126/science.1259038