Publications

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TCR3d 2.0: expanding the T cell receptor structure database with new structures, tools and interactions.
Lin V, Cheung M, Gowthaman R, Eisenberg M, Baker BM, Pierce BG. 2024. TCR3d 2.0: expanding the T cell receptor structure database with new structures, tools and interactions. Nucleic acids research : . DOI: 10.1093/nar/gkae840
Hydrolytically Degradable Zwitterionic Polyphosphazene Containing HEPES Moieties as Side Groups.
Tagad HD, Marin A, Hlushko R, Andrianov AK. 2024. Hydrolytically Degradable Zwitterionic Polyphosphazene Containing HEPES Moieties as Side Groups. Biomacromolecules : . DOI: 10.1021/acs.biomac.4c01008
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.
Hwang W, Austin SL, Blondel A, Boittier ED, Boresch S, Buck M, Buckner J, Caflisch A, Chang HT, Cheng X, et al. 2024. CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B : . DOI: 10.1021/acs.jpcb.4c04100
Yersinia pseudotuberculosis growth arrest during type-III secretion system expression is associated with altered ribosomal protein expression and decreased gentamicin susceptibility.
Greene J, Snyder RA, Cotten KL, Huiszoon RC, Chu S, Braza RED, Chapin AA, Stine JM, Bentley WE, Ghodssi R, et al. 2024. <i>Yersinia pseudotuberculosis</i> growth arrest during type-III secretion system expression is associated with altered ribosomal protein expression and decreased gentamicin susceptibility. bioRxiv : the preprint server for biology : . DOI: 10.1101/2024.09.02.610769
First-in-Class Mitogen-Activated Protein Kinase p38α: MAPK-Activated Protein Kinase-2 (MK2) Dual Signal Modulator with Anti-inflammatory and Endothelial-stabilizing Properties.
Tulapurkar ME, Shirey KA, Lugkey KN, Luo W, Lal R, Galan A, Mahmoud O, McClean N, Thangaraju K, Cericola D, et al. 2024. First-in-Class Mitogen-Activated Protein Kinase p38α: MAPK-Activated Protein Kinase-2 (MK2) Dual Signal Modulator with Anti-inflammatory and Endothelial-stabilizing Properties. The Journal of pharmacology and experimental therapeutics : . DOI: 10.1124/jpet.124.002281
Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots.
Nordquist EB, Zhao M, Kumar A, MacKerell AD. 2024. Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots. Journal of chemical information and modeling : . DOI: 10.1021/acs.jcim.4c01189
Electrobiofabrication of antibody sensor interfaces within a 3D printed device yield rapid and robust electrochemical measurements of titer and glycan structure.
Chen CY, Motabar D, Zakaria FR, Kim E, Wu B, Payne GF, Bentley WE. 2024. Electrobiofabrication of antibody sensor interfaces within a 3D printed device yield rapid and robust electrochemical measurements of titer and glycan structure. Biotechnology and bioengineering : . DOI: 10.1002/bit.28839
Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models.
Hatch HW, Bergonzo C, Blanco MA, Yuan G, Grudinin S, Lund M, Curtis JE, Grishaev AV, Liu Y, Shen VK. 2024. Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models. The Journal of chemical physics 161(9): . DOI: 10.1063/5.0224809
Unveiling the intricate role of S100A1 in regulating RyR1 activity: A commentary on "Structural insights into the regulation of RyR1 by S100A1".
Perry ML, Varney KM, Tiwary P, Weber DJ, Hernández-Ochoa EO. 2024. Unveiling the intricate role of S100A1 in regulating RyR1 activity: A commentary on "Structural insights into the regulation of RyR1 by S100A1". Cell calcium 123: 102947. DOI: 10.1016/j.ceca.2024.102947
Solution NMR backbone resonance assignment of the full-length resistance-related calcium-binding protein Sorcin.
Carillo KJ, He Y, Ye Q, Delaeter N, Chen Y, Orban J, Liu Y. 2024. Solution NMR backbone resonance assignment of the full-length resistance-related calcium-binding protein Sorcin. Biomolecular NMR assignments : . DOI: 10.1007/s12104-024-10196-0
Structural and Functional Insights into the Delivery Systems of Bacillus and Clostridial Binary Toxins.
Sevdalis SE, Varney KM, Cook ME, Gillespie JJ, Pozharski E, Weber DJ. 2024. Structural and Functional Insights into the Delivery Systems of <i>Bacillus</i> and Clostridial Binary Toxins. Toxins 16(8): . DOI: 10.3390/toxins16080330
Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein-Protein Interactions Influenced by NaCl and Sucrose.
Yuan G, Salipante PF, Hudson SD, Gillilan RE, Huang Q, Hatch HW, Shen VK, Grishaev AV, Pabit S, Upadhya R, et al. 2024. Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein-Protein Interactions Influenced by NaCl and Sucrose. Molecular pharmaceutics : . DOI: 10.1021/acs.molpharmaceut.4c00460
Correction: Cutting Edge: LAG3 Dimerization Is Required for TCR/CD3 Interaction and Inhibition of Antitumor Immunity.
Adam K, Lipatova Z, Abdul Ghafoor Raja M, Mishra AK, Mariuzza RA, Workman CJ, Vignali DAA. 2024. Correction: Cutting Edge: LAG3 Dimerization Is Required for TCR/CD3 Interaction and Inhibition of Antitumor Immunity. Journal of immunology (Baltimore, Md. : 1950) : . DOI: 10.4049/jimmunol.2400421
Quantitative Analysis of Complement Membrane Attack Complex Proteins Associated with Extracellular Vesicles.
Turko IV. 2024. Quantitative Analysis of Complement Membrane Attack Complex Proteins Associated with Extracellular Vesicles. Proteomes 12(3): . DOI: 10.3390/proteomes12030021
Harnessing mRNA to unleash endolysins: A new frontier in antibacterial therapy.
Nelson DC, Dave UM, Gonzalez-Juarbe N. 2024. Harnessing mRNA to unleash endolysins: A new frontier in antibacterial therapy. Molecular therapy. Nucleic acids 35(3): 102249. DOI: 10.1016/j.omtn.2024.102249