IBBR Publications

Mackerell AD, Jo S, Lakkaraju SKaushik, Lind C, Yu W. Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots). Biochim Biophys Acta Gen Subj. 2020 ;1864(4):129519.

Goel H, Yu W, Ustach VD, Aytenfisu AH, Sun D, Mackerell AD. Impact of electronic polarizability on protein-functional group interactions. Phys Chem Chem Phys. 2020 ;22(13):6848-6860.

Whitehead TA, Banta S, Bentley WE, Betenbaugh MJ, Chan C, Clark DS, Hoesli CA, Jewett MC, Junker B, Koffas M, et al. The Importance and Future of Biochemical Engineering. Biotechnol Bioeng. 2020 .

Yang Y, Zhang F, Zhou T, Fang A, Yu Y, Bi C, Xiao S. In silico identification of the full complement of subtilase-encoding genes and characterization of the role of TaSBT1.7 in resistance against stripe rust in wheat. Phytopathology. 2020 .

Andrianov AK, Marin A, Wang R, Chowdhury A, Agnihotri P, Yunus AS, Pierce BG, Mariuzza RA, Fuerst TR. In Vivo and In Vitro Potency of Polyphosphazene Immunoadjuvants with Hepatitis C Virus Antigen and the Role of Their Supramolecular Assembly. Mol Pharm. 2020 .

Manthe RL, Loeck M, Bhowmick T, Solomon M, Muro S. Intertwined mechanisms define transport of anti-ICAM nanocarriers across the endothelium and brain delivery of a therapeutic enzyme. J Control Release. 2020 ;324:181-193.

Tullman J, Marino JP, Kelman Z. Leveraging nature's biomolecular designs in next-generation protein sequencing reagent development. Appl Microbiol Biotechnol. 2020 .

Leman JKoehler, Weitzner BD, Lewis SM, Adolf-Bryfogle J, Alam N, Alford RF, Aprahamian M, Baker D, Barlow KA, Barth P, et al. Macromolecular modeling and design in Rosetta: recent methods and frameworks. Nat Methods. 2020 .

Lombard-Banek C, Schiel JE. Mass Spectrometry Advances and Perspectives for the Characterization of Emerging Adoptive Cell Therapies. Molecules. 2020 ;25(6).

Kognole AA, Mackerell AD. Mg Impacts the Twister Ribozyme through Push-Pull Stabilization of Nonsequential Phosphate Pairs. Biophys J. 2020 .

Gowthaman R, Pierce BG. Modeling and Viewing T Cell Receptors Using TCRmodel and TCR3d. Methods Mol Biol. 2020 ;2120:197-212.

Turko IV. A New Approach to Assess mAb Aggregation. Methods Mol Biol. 2020 ;2131:245-254.

Parvate AD, Vago F, S Hasan S, Lee J, Williams EP, Lanman J, Jonsson CB. A new inactivation method to facilitate cryo-EM of enveloped, RNA viruses requiring high containment: A case study using Venezuelan Equine Encephalitis Virus (VEEV). J Virol Methods. 2020 ;277:113792.

Mohanty A, Nam A, Pozhitkov A, Yang L, Srivastava S, Nathan A, Wu X, Mambetsariev I, Nelson M, Subbalakshmi AR, et al. A Non-genetic Mechanism Involving the Integrin β4/Paxillin Axis Contributes to Chemoresistance in Lung Cancer. iScience. 2020 ;23(9):101496.

Chauhan J, Yu W, Cardinale S, Opperman TJ, Mackerell AD, Fletcher S, de Leeuw EPh. Optimization of a Benzothiazole Indolene Scaffold Targeting Bacterial Cell Wall Assembly. Drug Des Devel Ther. 2020 ;14:567-574.

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.