IBBR Publications

Found 2943 results
Aleksandrov A, Roux B, Mackerell AD. p Calculations with the Polarizable Drude Force Field and Poisson-Boltzmann Solvation Model. J Chem Theory Comput. 2020 .
He Y, Agnihotri P, Rangarajan S, Chen Y, Kerzic MC, Ma B, Nussinov R, Mariuzza RA, Orban J. Peptide-MHC Binding Reveals Conserved Allosteric Sites in MHC Class I- and Class II-Restricted T Cell Receptors (TCRs). J Mol Biol. 2020 ;432(24):166697.
Nguyen VD, Nguyen TH, Tayeen ASaleh Md, H Laughinghouse D, Sánchez-Reyes LL, Wiggins J, Pontelli E, Mozzherin D, O'Meara B, Stoltzfus A. Phylotastic: Improving Access to Tree-of-Life Knowledge With Flexible, on-the-Fly Delivery of Trees. Evol Bioinform Online. 2020 ;16:1176934319899384.
Mahinthichaichan P, Tsai C-C, Payne GF, Shen J. Polyelectrolyte in Electric Field: Disparate Conformational Behavior along an Aminopolysaccharide Chain. ACS Omega. 2020 ;5(21):12016-12026.
Andrianov AK, Langer R. Polyphosphazene immunoadjuvants: Historical perspective and recent advances. J Control Release. 2020 ;329:299-315.
Albright V, Penarete-Acosta D, Stack M, Zheng J, Marin A, Hlushko H, Wang H, Jayaraman A, Andrianov AK, Sukhishvili SA. Polyphosphazenes enable durable, hemocompatible, highly efficient antibacterial coatings. Biomaterials. 2020 ;268:120586.
Turchi M, Kognole AA, Kumar A, Cai Q, Lian G, Mackerell AD. Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acids Micellar System. J Phys Chem B. 2020 .
Brinson RG, K Elliott W, Arbogast LW, Sheen DA, Giddens JP, Marino JP, Delaglio F. Principal component analysis for automated classification of 2D spectra and interferograms of protein therapeutics: influence of noise, reconstruction details, and data preparation. J Biomol NMR. 2020 .
Maranto C, Udhane V, Jia J, Verma R, Müller-Newen G, LaViolette PS, Pereckas M, Sabharwal L, Terhune S, Pattabiraman N, et al. Prospects for Clinical Development of Stat5 Inhibitor IST5-002: High Transcriptomic Specificity in Prostate Cancer and Low Toxicity In Vivo. Cancers (Basel). 2020 ;12(11).
Andrianov AK, Marin A, Deng J, Fuerst TR. Protein-loaded soluble and nanoparticulate formulations of ionic polyphosphazenes and their interactions on molecular and cellular levels. Mater Sci Eng C Mater Biol Appl. 2020 ;106:110179.
Briggs KT, Taraban MB, Y Yu B. Quality assurance at the point-of-care: Noninvasively detecting vaccine freezing variability using water proton NMR. Vaccine. 2020 ;38(31):4853-4860.
Zhang L, Parot J, Hackley VA, Turko IV. Quantitative Proteomic Analysis of Biogenesis-Based Classification for Extracellular Vesicles. Proteomes. 2020 ;8(4).
Wang S, Payne GF, Bentley WE. Quorum Sensing Communication: Molecularly Connecting Cells, Their Neighbors, and Even Devices. Annu Rev Chem Biomol Eng. 2020 .
Conlon IL, Drennen B, Lanning ME, Hughes S, Rothhaas R, Wilder PT, Mackerell AD, Fletcher S. Rationally Designed Polypharmacology: α-Helix Mimetics as Dual Inhibitors of the Oncoproteins Mcl-1 and HDM2. ChemMedChem. 2020 .
VanArsdale E, Pitzer J, Payne GF, Bentley WE. Redox Electrochemistry to Interrogate and Control Biomolecular Communication. iScience. 2020 ;23(9):101545.
Bhokisham N, VanArsdale E, Stephens KT, Hauk P, Payne GF, Bentley WE. A redox-based electrogenetic CRISPR system to connect with and control biological information networks. Nat Commun. 2020 ;11(1):2427.
Song J, Liu H, Lei M, Tan H, Chen Z, Antoshin A, Payne GF, Qu X, Liu C. Redox-Channeling Polydopamine-Ferrocene (PDA-Fc) Coating To Confer Context-Dependent and Photothermal Antimicrobial Activities. ACS Appl Mater Interfaces. 2020 .
Nichols PJ, Born A, Henen MA, Strotz D, Jones DN, Delaglio F, Vögeli B. Reducing the measurement time of exact NOEs by non-uniform sampling. J Biomol NMR. 2020 .
Zhao Z-X, Feng Q, Liu P-Q, He X-R, Zhao J-H, Xu Y-J, Zhang L-L, Huang Y-Y, Zhao J-Q, Fan J, et al. RPW8.1 enhances the ethylene-signaling pathway to feedback-attenuate its mediated cell death and disease resistance in Arabidopsis. New Phytol. 2020 .
Bhattarai K, Conesa A, Xiao S, Peres NA, Clark DG, Parajuli S, Deng Z. Sequencing and analysis of gerbera daisy leaf transcriptomes reveal disease resistance and susceptibility genes differentially expressed and associated with powdery mildew resistance. BMC Plant Biol. 2020 ;20(1):539.
Takimoto T, Sasaki H, Tsue H, Takahashi H, Mackerell AD, Nakamura A, Nakano K, Okazaki E, Betsuyaku T, Tachibana R, et al. Simple Synthesis of a Heterocyclophane Exhibiting Anti-c-Met Activity by Acting as a Hatch Blocking Access to the Active Site*. Chemistry. 2020 .
Weston S, Baracco L, Keller C, Matthews K, McGrath ME, Logue J, Liang J, Dyall J, Holbrook MR, Hensley LE, et al. The SKI complex is a broad-spectrum, host-directed antiviral drug target for coronaviruses, influenza, and filoviruses. Proc Natl Acad Sci U S A. 2020 ;117(48):30687-30698.
Rupakheti C, Lamoureux G, Mackerell AD, Roux B. Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian. J Chem Phys. 2020 ;153(11):114108.
Wu D, D Gallagher T, Gowthaman R, Pierce BG, Mariuzza RA. Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun. 2020 ;11(1):2908.
Greenfield J, Shang X, Luo H, Zhou Y, Linden SB, Heselpoth RD, Leiman PG, Nelson DC, Herzberg O. Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7. Sci Rep. 2020 ;10(1):15402.