Publications

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The Future of Insomnia Research-There's Still Work to Be Done.
Dressle RJ, Spiegelhalder K, Schiel JE, Benz F, Johann A, Feige B, Jernelöv S, Perlis M, Riemann D. 2025. The Future of Insomnia Research-There's Still Work to Be Done. Journal of sleep research : e70091. DOI: 10.1111/jsr.70091
Glycoengineering of the hepatitis C virus E2 glycoprotein leads to improved biochemical properties and enhanced immunogenicity.
Kulakova L, Li KH, Chiang AWT, Schwoerer MP, Schoffelen S, Elkholy K, Chao KL, Shahid S, Kumar B, Murray NB, et al. 2025. Glycoengineering of the hepatitis C virus E2 glycoprotein leads to improved biochemical properties and enhanced immunogenicity. bioRxiv : the preprint server for biology : . DOI: 10.1101/2025.04.02.646860
High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation.
Yu W, Kumar S, Zhao M, Weber DJ, MacKerell AD. 2025. High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation. Journal of chemical theory and computation : . DOI: 10.1021/acs.jctc.5c00265
Correction: Protein-polyelectrolyte complexation: effects of sterically repulsive groups, macromolecular architecture and hierarchical assembly.
Hlushko R, Marin A, Andrianov AK. 2025. Correction: Protein-polyelectrolyte complexation: effects of sterically repulsive groups, macromolecular architecture and hierarchical assembly. Soft matter : . DOI: 10.1039/d5sm90071a
Spatial and Sequential Topological Analysis of Molecular Dynamics Simulations of IgG1 Fc Domains.
Kleczynski M, Bergonzo C, Kearsley AJ. 2025. Spatial and Sequential Topological Analysis of Molecular Dynamics Simulations of IgG1 Fc Domains. Journal of chemical theory and computation : . DOI: 10.1021/acs.jctc.5c00161
Recommended nomenclature convention for the NISTCHO cell line and its product monoclonal antibody, cNISTmAb.
Cleveland MH, Karageorgos IL, Marino JP, Tarlov MJ, Yandrofski KS, Zangmeister RA, Kelman Z. 2025. Recommended nomenclature convention for the NISTCHO cell line and its product monoclonal antibody, cNISTmAb. mAbs 17(1): 2490789. DOI: 10.1080/19420862.2025.2490789
Citrus phloem specific transcriptional profiling through the development of a citrus tristeza virus expressed translating ribosome affinity purification system.
Culver JN, Vallar M, Burchard E, Kamens S, Lair S, Qi Y, Collum TD, Dardick C, El-Mohtar CA, Rogers EE. 2025. Citrus phloem specific transcriptional profiling through the development of a citrus tristeza virus expressed translating ribosome affinity purification system. Plant methods 21(1): 49. DOI: 10.1186/s13007-025-01368-7
The need to implement FAIR principles in biomolecular simulations.
Amaro RE, Åqvist J, Bahar I, Battistini F, Bellaiche A, Beltran D, Biggin PC, Bonomi M, Bowman GR, Bryce RA, et al. 2025. The need to implement FAIR principles in biomolecular simulations. Nature methods : . DOI: 10.1038/s41592-025-02635-0
Critical Assessment of RNA and DNA Structure Predictions via Artificial Intelligence: The Imitation Game.
Bergonzo C, Grishaev A. 2025. Critical Assessment of RNA and DNA Structure Predictions via Artificial Intelligence: The Imitation Game. Journal of chemical information and modeling : . DOI: 10.1021/acs.jcim.5c00245
Correction: Maranto et al. Prospects for Clinical Development of Stat5 Inhibitor IST5-002: High Transcriptomic Specificity in Prostate Cancer and Low Toxicity In Vivo. Cancers 2020, 12, 3412.
Maranto C, Udhane V, Jia J, Verma R, Müller-Newen G, LaViolette PS, Pereckas M, Sabharwal L, Terhune S, Pattabiraman N, et al. 2025. Correction: Maranto et al. Prospects for Clinical Development of Stat5 Inhibitor IST5-002: High Transcriptomic Specificity in Prostate Cancer and Low Toxicity In Vivo. <i>Cancers</i> 2020, <i>12</i>, 3412. Cancers 17(6): . DOI: 10.3390/cancers17060932
Potent and Selective Human Constitutive Androstane Receptor Activator DL5055 Facilitates Cyclophosphamide-Based Chemotherapies.
Liang D, Li L, Ai Y, Li Z, Hedrich WD, Sakamuru S, Lynch C, Yu W, Watts-Ouattara I, Heyward S, et al. 2025. Potent and Selective Human Constitutive Androstane Receptor Activator DL5055 Facilitates Cyclophosphamide-Based Chemotherapies. Journal of medicinal chemistry : . DOI: 10.1021/acs.jmedchem.4c02064
Mapping the Distribution and Affinities of Ligand Interaction Sites on Human Serum Albumin.
Orr AA, Uwakweh AO, Li X, Karanji AK, Hoag SW, Deredge DJ, MacKerell AD. 2025. Mapping the Distribution and Affinities of Ligand Interaction Sites on Human Serum Albumin. Biophysical journal : . DOI: 10.1016/j.bpj.2025.03.016
Evolving concepts of the protein universe.
Kulkarni P, Porter L, Chou TF, Chong S, Chiti F, Schafer JW, Mohanty A, Ramisetty S, Onuchic JN, Tuite M, et al. 2025. Evolving concepts of the protein universe. iScience 28(3): 112012. DOI: 10.1016/j.isci.2025.112012
Delivery of protein therapeutics and vaccines using their multivalent complexes with synthetic polyelectrolytes.
Andrianov AK. 2025. Delivery of protein therapeutics and vaccines using their multivalent complexes with synthetic polyelectrolytes. Progress in molecular biology and translational science 212: 235-259. DOI: 10.1016/bs.pmbts.2024.04.005
3D nanoprinting of PDMS microvessels with tailored tortuosity and microporosity via direct laser writing.
Xu X, Qiu Y, Chen CY, Carton M, Campbell PMR, Chowdhury AM, Bandyopadhyay BC, Bentley WE, Smith BR, Sochol RD. 2025. 3D nanoprinting of PDMS microvessels with tailored tortuosity and microporosity <i>via</i> direct laser writing. Lab on a chip : . DOI: 10.1039/d4lc01051e