Publications
Fluorine-Functionalized Polyphosphazene Immunoadjuvant: Synthesis, Solution Behavior and In Vivo Potency.
Tagad HD, Marin A, Wang R, Yunus AS, Fuerst TR, Andrianov AK, Tagad HD, Marin A, Wang R, Yunus AS, Fuerst TR, Andrianov AK. 2023. Fluorine-Functionalized Polyphosphazene Immunoadjuvant: Synthesis, Solution Behavior and In Vivo Potency. Molecules (Basel, Switzerland) 28(10): . DOI: 10.3390/molecules28104218
Transglutaminase 2 binds to the CD44v6 cytoplasmic domain to stimulate CD44v6/ERK1/2 signaling and maintain an aggressive cancer phenotype.
Chen X, Adhikary G, Newland JJ, Xu W, Keillor JW, Weber DJ, Eckert RL, Chen X, Adhikary G, Newland JJ, Xu W, Keillor JW, Weber DJ, Eckert RL. 2023. Transglutaminase 2 binds to the CD44v6 cytoplasmic domain to stimulate CD44v6/ERK1/2 signaling and maintain an aggressive cancer phenotype. Molecular cancer research : MCR : . DOI: 10.1158/1541-7786.MCR-23-0051
Structural investigations of the palmitoylated F13 envelope protein of Mpox virus.
Borkotoky S, Dey D, Borkotoky S, Dey D. 2023. Structural investigations of the palmitoylated F13 envelope protein of Mpox virus. Journal of medical virology 95(5): e28798. DOI: 10.1002/jmv.28798
High performance anion exchange chromatography purification of probiotic bacterial extracellular vesicles enhances purity and anti-inflammatory efficacy.
Piroli NH, Reus LSC, Mamczarz Z, Khan S, Bentley WE, Jay SM, Piroli NH, Reus LSC, Mamczarz Z, Khan S, Bentley WE, Jay SM. 2023. High performance anion exchange chromatography purification of probiotic bacterial extracellular vesicles enhances purity and anti-inflammatory efficacy. bioRxiv : the preprint server for biology : . DOI: 10.1101/2023.05.01.538917
Rootstock-induced scion resistance against tobacco mosaic virus is associated with the induction of defence-related transcripts and graft-transmissible mRNAs.
Kappagantu M, Brandon M, Tamukong YB, Culver JN, Kappagantu M, Brandon M, Tamukong YB, Culver JN. 2023. Rootstock-induced scion resistance against tobacco mosaic virus is associated with the induction of defence-related transcripts and graft-transmissible mRNAs. Molecular plant pathology : . DOI: 10.1111/mpp.13353
Electro-Biofabrication. Coupling Electrochemical and Biomolecular Methods to Create Functional Bio-Based Hydrogels.
Liu Y, Kim E, Lei M, Wu S, Yan K, Shen J, Bentley WE, Shi X, Qu X, Payne GF, Liu Y, Kim E, Lei M, Wu S, Yan K, Shen J, Bentley WE, Shi X, Qu X, Payne GF. 2023. Electro-Biofabrication. Coupling Electrochemical and Biomolecular Methods to Create Functional Bio-Based Hydrogels. Biomacromolecules : . DOI: 10.1021/acs.biomac.3c00132
Croquemort elicits activation of the immune deficiency pathway in ticks.
O'Neal AJ, Singh N, Rolandelli A, Laukaitis HJ, Wang X, Shaw DK, Young BD, Narasimhan S, Dutta S, Snyder GA, et al. 2023. Croquemort elicits activation of the immune deficiency pathway in ticks. Proceedings of the National Academy of Sciences of the United States of America 120(20): e2208673120. DOI: 10.1073/pnas.2208673120
Noncovalent PEGylation of protein and peptide therapeutics.
Andrianov AK, Andrianov AK. 2023. Noncovalent PEGylation of protein and peptide therapeutics. Wiley interdisciplinary reviews. Nanomedicine and nanobiotechnology : e1897. DOI: 10.1002/wnan.1897
TCRmodel2: high-resolution modeling of T cell receptor recognition using deep learning.
Yin R, Ribeiro-Filho HV, Lin V, Gowthaman R, Cheung M, Pierce BG, Yin R, Ribeiro-Filho HV, Lin V, Gowthaman R, Cheung M, Pierce BG. 2023. TCRmodel2: high-resolution modeling of T cell receptor recognition using deep learning. Nucleic acids research : . DOI: 10.1093/nar/gkad356
Structure-function Analyses Reveal Key Molecular Determinants of HIV-1 CRF01_AE Resistance to the Entry Inhibitor Temsavir.
Prévost J, Chen Y, Zhou F, Tolbert WD, Gasser R, Medjahed H, Gottumukkala S, Hessell AJ, Rao VB, Pozharski E, et al. 2023. Structure-function Analyses Reveal Key Molecular Determinants of HIV-1 CRF01_AE Resistance to the Entry Inhibitor Temsavir. bioRxiv : the preprint server for biology : . DOI: 10.1101/2023.04.17.537181
Analysis of the Adsorbed Vaccine Formulations Using Water Proton Nuclear Magnetic Resonance-Comparison with Optical Analytics.
Taraban MB, Ndung'u T, Karki P, Li K, Fung G, Kirkitadze M, Yu YB, Taraban MB, Ndung'u T, Karki P, Li K, Fung G, Kirkitadze M, Yu YB. 2023. Analysis of the Adsorbed Vaccine Formulations Using Water Proton Nuclear Magnetic Resonance-Comparison with Optical Analytics. Pharmaceutical research : . DOI: 10.1007/s11095-023-03528-7
Understanding the Molecular Basis for Homodimer Formation of the Pneumococcal Endolysin Cpl-1.
Alreja AB, Linden SB, Lee HR, Chao KL, Herzberg O, Nelson DC, Alreja AB, Linden SB, Lee HR, Chao KL, Herzberg O, Nelson DC. 2023. Understanding the Molecular Basis for Homodimer Formation of the Pneumococcal Endolysin Cpl-1. ACS infectious diseases : . DOI: 10.1021/acsinfecdis.2c00627
Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation.
Yu W, Weber DJ, MacKerell AD, Yu W, Weber DJ, MacKerell AD. 2023. Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation. Journal of chemical theory and computation : . DOI: 10.1021/acs.jctc.3c00232
Multiple models for outbreak decision support in the face of uncertainty.
Shea K, Borchering RK, Probert WJM, Howerton E, Bogich TL, Li SL, van Panhuis WG, Viboud C, Aguás R, Belov AA, et al. 2023. Multiple models for outbreak decision support in the face of uncertainty. Proceedings of the National Academy of Sciences of the United States of America 120(18): e2207537120. DOI: 10.1073/pnas.2207537120
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
Zhao M, Kognole AA, Jo S, Tao A, Hazel A, MacKerell AD, Zhao M, Kognole AA, Jo S, Tao A, Hazel A, MacKerell AD. 2023. GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations. Journal of computational chemistry : . DOI: 10.1002/jcc.27121
4-Methylumbelliferone-Functionalized Polyphosphazene and Its Assembly into Biocompatible Fluorinated Nanocoatings with Selective Antiproliferative Activity.
Tagad HD, Brito J, Marin A, Buckley C, Wang H, Sun J, Sukhishvili SA, Wang H, Andrianov AK, Tagad HD, Brito J, Marin A, Buckley C, Wang H, Sun J, Sukhishvili SA, Wang H, Andrianov AK. 2023. 4-Methylumbelliferone-Functionalized Polyphosphazene and Its Assembly into Biocompatible Fluorinated Nanocoatings with Selective Antiproliferative Activity. Biomacromolecules : . DOI: 10.1021/acs.biomac.3c00153
Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
Yu Y, Venable RM, Thirman J, Chatterjee P, Kumar A, Pastor RW, Roux B, MacKerell AD, Klauda JB, Yu Y, Venable RM, Thirman J, Chatterjee P, Kumar A, Pastor RW, Roux B, MacKerell AD, Klauda JB. 2023. Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids. Journal of chemical theory and computation : . DOI: 10.1021/acs.jctc.3c00203
Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge Prediction.
Orr AA, Tao A, Guvench O, MacKerell AD, Orr AA, Tao A, Guvench O, MacKerell AD. 2023. Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge Prediction. Molecular pharmaceutics : . DOI: 10.1021/acs.molpharmaceut.3c00064
Mutation bias and the predictability of evolution.
Cano AV, Gitschlag BL, Rozhoňová H, Stoltzfus A, McCandlish DM, Payne JL, Cano AV, Gitschlag BL, Rozhoňová H, Stoltzfus A, McCandlish DM, Payne JL. 2023. Mutation bias and the predictability of evolution. Philosophical transactions of the Royal Society of London. Series B, Biological sciences 378(1877): 20220055. DOI: 10.1098/rstb.2022.0055
Monomeric crystal structure of the vaccine carrier protein CRM197 and implications for vaccine development.
Gallagher DT, Oganesyan N, Lees A, Gallagher DT, Oganesyan N, Lees A. 2023. Monomeric crystal structure of the vaccine carrier protein CRM197 and implications for vaccine development. Acta crystallographica. Section F, Structural biology communications : . DOI: 10.1107/S2053230X23002364