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Publications

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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
Knockdowns of CD3zeta chain in Primary NK Cells Illustrate Modulation of Antibody-Dependent Cellular Cytotoxicity against Human Immunodeficiency Virus-1.
Sugawara S, Lee E, Craemer M, Pruitt A, Balachandran H, Gressens S, Kroll K, Manickam C, Li Y, Jost S, et al. 2024. Knockdowns of CD3zeta chain in Primary NK Cells Illustrate Modulation of Antibody-Dependent Cellular Cytotoxicity against Human Immunodeficiency Virus-1. AIDS research and human retroviruses : . DOI: 10.1089/AID.2023.0114
Enhancing SILCS-MC via GPU Acceleration and Ligand Conformational Optimization with Genetic and Parallel Tempering Algorithms.
Zhao M, Yu W, MacKerell AD. 2024. Enhancing SILCS-MC via GPU Acceleration and Ligand Conformational Optimization with Genetic and Parallel Tempering Algorithms. The journal of physical chemistry. B : . DOI: 10.1021/acs.jpcb.4c03045
Redox-mediated Biomolecular information transfer in single electrogenetic biological cells.
Kaufman D, Chen CY, Tsao CY, Zhao Z, Lavon A, Payne GF, Bentley WE, Ben-Yoav H. 2024. Redox-mediated Biomolecular information transfer in single electrogenetic biological cells. Biosensors & bioelectronics 262: 116546. DOI: 10.1016/j.bios.2024.116546
Sterol-like drugs potentiate statin-triggered prostate cancer cell death by inhibiting SREBP2 nuclear translocation.
Dos Santos DZ, Elbaz M, Branchard E, Schormann W, Brown CE, Meek AR, Njar VCO, Hamilton RJ, Reed MA, Andrews DW, et al. 2024. Sterol-like drugs potentiate statin-triggered prostate cancer cell death by inhibiting SREBP2 nuclear translocation. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie 177: 116934. DOI: 10.1016/j.biopha.2024.116934
Agent-based modeling of the COVID-19 pandemic in Florida.
Pillai AN, Toh KB, Perdomo D, Bhargava S, Stoltzfus A, Longini IM, Pearson CAB, Hladish TJ. 2024. Agent-based modeling of the COVID-19 pandemic in Florida. Epidemics 47: 100774. DOI: 10.1016/j.epidem.2024.100774
Deuterium spin relaxation of fractionally deuterated ribonuclease H using paired 475 and 950 MHz NMR spectrometers.
Bhattacharya S, Varney KM, Dahmane T, Johnson BA, Weber DJ, Palmer AG. 2024. Deuterium spin relaxation of fractionally deuterated ribonuclease H using paired 475 and 950 MHz NMR spectrometers. Journal of biomolecular NMR : . DOI: 10.1007/s10858-024-00443-w
Mining proteomes for zinc finger persulfidation.
Li H, Stoltzfus AT, Michel SLJ. 2024. Mining proteomes for zinc finger persulfidation. RSC chemical biology 5(6): 572-585. DOI: 10.1039/d3cb00106g