IBBR Publications

Found 2943 results
Lensink MF, Brysbaert G, Mauri T, Nadzirin N, Velankar S, Chaleil RAG, Clarence T, Bates PA, Kong R, Liu B, et al. Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment. Proteins. 2021 .
Elliott KW, Delaglio F, Wikström M, Marino JP, Arbogast LW. Principal Component Analysis of 1D ¹H Diffusion Edited NMR Spectra of Protein Therapeutics. J Pharm Sci. 2021 .
Li S, Zhao J, Huang R, Travers J, Klumpp-Thomas C, Yu W, Mackerell AD, Sakamuru S, Ooka M, Xue F, et al. Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 ;129(4):47008.
Ai Y, Hwang L, Mackerell AD, Melnick A, Xue F. Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond. J Med Chem. 2021 ;64(8):4333-4358.
Wang Y, Howell KA, Brannan J, Agans KN, Turner HL, Wirchnianski AS, Kailasan S, Fusco M, Galkin A, Chiang C-I, et al. Prominent Neutralizing Antibody Response Targeting the Glycoprotein Subunit Interface Elicited by Immunization. J Virol. 2021 .
Nguyen A, Wang T, Turko IV. Quantitative proteomic analysis for evaluating affinity isolation of extracellular vesicles. J Proteomics. 2021 :104359.
Goel H, Hazel A, Ustach VD, Jo S, Yu W, Mackerell AD. Rapid and accurate estimation of protein-ligand relative binding affinities using site-identification by ligand competitive saturation. Chem Sci. 2021 ;12(25):8844-8858.
Sinha NJ, Kloxin CJ, Saven JG, Jensen GV, Kelman Z, Pochan DJ. Recombinant expression of computationally designed peptide-bundlemers in Escherichia coli. J Biotechnol. 2021 ;330:57-60.
Wang S, Tsao C-Y, Motabar D, Li J, Payne GF, Bentley WE. A Redox-Based Autoinduction Strategy to Facilitate Expression of 5xCys-Tagged Proteins for Electrobiofabrication. Front Microbiol. 2021 ;12:675729.
Brown AD, Chu S, Kappagantu M, Ghodssi R, Culver JN. Reprogramming Virus Coat Protein Carboxylate Interactions for the Patterned Assembly of Hierarchical Nanorods. Biomacromolecules. 2021 .
Xiao S, Ge X, Han Q-L, Zhang Y. Secure Distributed Adaptive Platooning Control of Automated Vehicles Over Vehicular Ad-Hoc Networks Under Denial-of-Service Attacks. IEEE Trans Cybern. 2021 ;PP.
Yu Y, Kramer A, Venable RM, Simmonett AC, Mackerell AD, Klauda JB, Pastor RW, Brooks BR. Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion. J Chem Theory Comput. 2021 .
East KW, Delaglio F, Lisi GP. A simple approach for reconstruction of non-uniformly sampled pseudo-3D NMR data for accurate measurement of spin relaxation parameters. J Biomol NMR. 2021 .
Motabar D, Li J, Wang S, Tsao C-Y, Tong X, Wang L-X, Payne GF, Bentley WE. Simple, rapidly electroassembled thiolated PEG-based sensor interfaces enable rapid interrogation of antibody titer and glycosylation. Biotechnol Bioeng. 2021 .
Ahn SHyun, Rath M, Tsao C-Y, Bentley WE, Raghavan SR. Single-Step Synthesis of Alginate Microgels Enveloped with a Covalent Polymeric Shell: A Simple Way to Protect Encapsulated Cells. ACS Appl Mater Interfaces. 2021 .
Li C, Chong G, Zong G, Knorr DA, Bournazos S, Aytenfisu AHaile, Henry GK, Ravetch JV, Mackerell AD, Wang L-X. Site-Selective Chemoenzymatic Modification on the Core Fucose of an Antibody Enhances Its Fcγ Receptor Affinity and ADCC Activity. J Am Chem Soc. 2021 ;143(20):7828-7838.
Solano-Gonzalez E, Coburn KM, Yu W, Wilson GM, Nurmemmedov E, Kesari S, Chang ET, Mackerell AD, Weber DJ, Carrier F. Small molecules inhibitors of the heterogeneous ribonuclear protein A18 (hnRNP A18): a regulator of protein translation and an immune checkpoint. Nucleic Acids Res. 2021 .
Ernst O, Khan MM, Oyler BL, Yoon SHwan, Sun J, Lin F-Y, Manes NP, Mackerell AD, Fraser IDC, Ernst RK, et al. Species-Specific Endotoxin Stimulus Determines Toll-Like Receptor 4- and Caspase 11-Mediated Pathway Activation Characteristics. mSystems. 2021 :e0030621.
Young BD, Yu W, Rodríguez DJVera, Varney KM, Mackerell AD, Weber DJ. Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS). Molecules. 2021 ;26(2).
Toth EA, Chagas A, Pierce BG, Fuerst TR. Structural and Biophysical Characterization of the HCV E1E2 Heterodimer for Vaccine Development. Viruses. 2021 ;13(6).
Yin R, Guest JD, Taherzadeh G, Gowthaman R, Mittra I, Quackenbush J, Pierce BG. Structural and energetic profiling of SARS-CoV-2 receptor binding domain antibody recognition and the impact of circulating variants. PLoS Comput Biol. 2021 ;17(9):e1009380.
Krueger S, Curtis JE, Scott DR, Grishaev A, Glenn G, Smith G, Ellingsworth L, Borisov O, Maynard EL. Structural Characterization and Modeling of a Respiratory Syncytial Virus Fusion Glycoprotein Nanoparticle Vaccine in Solution. Mol Pharm. 2021 ;18(1):359-376.
Pidugu LS, Bright H, Lin W-J, Majumdar C, Van Ostrand RP, David SS, Pozharski E, Drohat AC. Structural Insights into the Mechanism of Base Excision by MBD4. J Mol Biol. 2021 ;433(15):167097.
Guest JD, Pierce BG. Structure-Based and Rational Design of a Hepatitis C Virus Vaccine. Viruses. 2021 ;13(5).
Mordes JP, Cort L, Liu Z, Eberwine R, Blankenhorn EP, Pierce BG. T Cell Receptor Genotype and Determine Susceptibility to Rat Autoimmune Diabetes. Genes (Basel). 2021 ;12(6).