Publications

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Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors.
Yu W, MacKerell AD, Weber DJ, Raufman JP. 2025. Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors. Biomolecules 15(9): . DOI: 10.3390/biom15091326
Recombinant Expression and Purification of the Cyanobacterial Chaperone HtpG from Synechococcus elongatus PCC 7942.
Jiang L, Boyenle ID, Delaeter N, Liu Y. 2025. Recombinant Expression and Purification of the Cyanobacterial Chaperone HtpG from <i>Synechococcus elongatus</i> PCC 7942. Methods and protocols 8(5): . DOI: 10.3390/mps8050103
Modeling Alternative Conformational States in CASP16.
Dube N, Ramelot TA, Benavides TL, Huang YJ, Moult J, Kryshtafovych A, Montelione GT. 2025. Modeling Alternative Conformational States in CASP16. bioRxiv : the preprint server for biology : . DOI: 10.1101/2025.09.02.673835
The mammalian SKI complex is a broad-spectrum antiviral drug target that upregulates cellular cholesterol to inhibit viral replication.
Weston S, Baracco L, Taylor L, Scott AJ, Kumar G, Shapiro P, MacKerell AD, Frieman MB. 2025. The mammalian SKI complex is a broad-spectrum antiviral drug target that upregulates cellular cholesterol to inhibit viral replication. Journal of virology : e0132325. DOI: 10.1128/jvi.01323-25
Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers.
Kretsch RC, Albrecht R, Andersen ES, Chen HA, Chiu W, Das R, Gezelle JG, Hartmann MD, Höbartner C, Hu Y, et al. 2025. Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers. Proteins : . DOI: 10.1002/prot.70043
Diverse Functions of Plant MLO Proteins: From Mystery to Elucidation.
Li P, Xiao S. 2025. Diverse Functions of Plant MLO Proteins: From Mystery to Elucidation. Annual review of phytopathology 63(1): 147-173. DOI: 10.1146/annurev-phyto-030625-035800
Hierarchical AF2RAVE for Multiconformation Virtual Screening Targeting S100 Ca2+-Binding Proteins.
Gu X, Adury VSS, Aranganathan A, Zhuang X, Varney KM, Weber DJ, Tiwary P. 2025. Hierarchical AF2RAVE for Multiconformation Virtual Screening Targeting S100 Ca2+-Binding Proteins. Journal of chemical theory and computation 21(18): 9214-9225. DOI: 10.1021/acs.jctc.5c01093
Enhanced Production of HCV E1E2 Subunit Vaccine Candidates via Protein-Protein Interaction Identification in Glycoengineered CHO Cells.
Wu MYM, Rocamora F, Robinson CM, Shin S, Maurya S, Toth EA, Fuerst TR, Lewis NE. 2025. Enhanced Production of HCV E1E2 Subunit Vaccine Candidates via Protein-Protein Interaction Identification in Glycoengineered CHO Cells. Biotechnology journal 20(9): e70112. DOI: 10.1002/biot.70112
Updates to the CASP Infrastructure in 2024.
Kryshtafovych A, Milostan M, Lensink MF, Velankar S, Bonvin AMJJ, Moult J, Fidelis K. 2025. Updates to the CASP Infrastructure in 2024. Proteins : . DOI: 10.1002/prot.70042
Actin Depolymerization Factor (ADF) Moonlighting: Nuclear Immune Regulation by Interacting with WRKY Transcription Factors and Shaping the Transcriptome.
Li P, Kelley B, Li Z, Proctor B, Corrion A, Xie X, Sheick R, Lu YJ, Nomoto M, Wei CI, et al. 2025. Actin Depolymerization Factor (ADF) Moonlighting: Nuclear Immune Regulation by Interacting with WRKY Transcription Factors and Shaping the Transcriptome. bioRxiv : the preprint server for biology : . DOI: 10.1101/2025.04.29.651294
Translon: a single term for translated regions.
Świrski MI, Tierney JAS, Albà MM, Andreev DE, Aspden JL, Atkins JF, Bassani-Sternberg M, Berry MJ, Biffo S, Boris-Lawrie K, et al. 2025. Translon: a single term for translated regions. Nature methods 22(10): 2002-2006. DOI: 10.1038/s41592-025-02810-3
Quantifying Hydrogen Populations in Liquid Mixtures Using 1H NMR Relaxometry.
Biswas PG, Taraban MB, Briggs KT, Yu YB. 2025. Quantifying Hydrogen Populations in Liquid Mixtures Using 1H NMR Relaxometry. Analytical chemistry : . DOI: 10.1021/acs.analchem.5c02606
Electrochemistry as a Tool for Redox-Based Bio-Information Processing.
Kim E, Chen CY, Zakaria FR, Motabar D, Kang M, Kelly DL, Napolitano A, Bentley WE, Payne GF. 2025. Electrochemistry as a Tool for Redox-Based Bio-Information Processing. Advanced science (Weinheim, Baden-Wurttemberg, Germany) : e10184. DOI: 10.1002/advs.202510184
Redefining druggable targets with artificial intelligence.
Akinsanya K, AlQuraishi M, Boija A, Chodera J, Cichońska A, Ghassemi M, Head M, Jin W, Kibbe WA, Krogan N, et al. 2025. Redefining druggable targets with artificial intelligence. Nature biotechnology : . DOI: 10.1038/s41587-025-02770-1
Computational Prioritization of T Cell Epitopes to Overcome HLA Restriction and Antigenic Diversity in Plasmodium falciparum.
Laurenson AJ, Pierce BG, Takala-Harrison S, Laurens MB. 2025. Computational Prioritization of T Cell Epitopes to Overcome HLA Restriction and Antigenic Diversity in <i>Plasmodium falciparum</i>. bioRxiv : the preprint server for biology : . DOI: 10.1101/2025.07.14.664425