IBBR Publications

Tullman J, Callahan N, Ellington B, Kelman Z, Marino JP. Engineering ClpS for selective and enhanced N-terminal amino acid binding. Appl Microbiol Biotechnol. 2019 .

Stephens K, Zargar A, Emamian M, Abutaleb N, Choi E, Quan DN, Payne GF, Bentley WE. Engineering Escherichia coli for enhanced sensitivity to the autoinducer-2 quorum sensing signal. Biotechnol Prog. 2019 :e2881.

Pidugu LS, Dai Q, Malik SShafi, Pozharski E, Drohat AC. Excision of 5-carboxylcytosine by Thymine DNA Glycosylase. J Am Chem Soc. 2019 .

Kumar A, Yoluk O, Mackerell AD. FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules. J Comput Chem. 2019 .

Taraban MB, Briggs KT, Merkel P, Y Yu B. Flow Water Proton NMR: In-Line Process Analytical Technology for Continuous Biomanufacturing. Anal Chem. 2019 .

Lin F-Y, Mackerell AD. Force Fields for Small Molecules. Methods Mol Biol. 2019 ;2022:21-54.

Kwegyir-Afful AK, Ramalingam S, Ramamurthy VP, Purushottamachar P, Murigi FN, Vasaitis TS, Huang W, Kane MA, Zhang Y, Ambulos N, et al. Galeterone and The Next Generation Galeterone Analogs, VNPP414 and VNPP433-3β Exert Potent Therapeutic Effects in Castration-/Drug-Resistant Prostate Cancer Preclinical Models In Vitro and In Vivo. Cancers (Basel). 2019 ;11(11).

Singh NK, Abualrous ET, Ayres CM, Noé F, Gowthaman R, Pierce BG, Baker BM. Geometrical characterization of T cell receptor binding modes reveals class-specific binding to maximize access to antigen. Proteins. 2019 .

Roth BM, Varney KM, Yang H, Weber DJ, Tomkinson AE. H, C, and N backbone resonance assignments of the human DNA ligase 3 DNA-binding domain (residues 257-477). Biomol NMR Assign. 2019 ;13(2):305-308.

Lei L, Yang YR, Tran K, Wang Y, Chiang C-I, Ozorowski G, Xiao Y, Ward AB, Wyatt RT, Li Y. The HIV-1 Envelope Glycoprotein C3/V4 Region Defines a Prevalent Neutralization Epitope following Immunization. Cell Rep. 2019 ;27(2):586-598.e6.

Comert F, Greenwood A, Maramba J, Acevedo R, Lucas L, Kulasinghe T, Cairns LS, Wen Y, Fu R, Hammer J, et al. The host-defense peptide piscidin P1 reorganizes lipid domains in membranes and decreases activation energies in mechanosensitive ion channels. J Biol Chem. 2019 .

Karade SS, Mariuzza RA. How Natural Killer Cell Receptors Stick to Cell-Cell Adhesion Proteins. Structure. 2019 ;27(2):209-210.

Hudgens JW, Gallagher ES, Karageorgos I, Anderson KW, Huang RY-C, Chen G, Bou-Assaf GM, Espada A, Chalmers MJ, Harguindey E, et al. Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) Centroid Data Measured between 3.6 °C and 25.4 °C for the Fab Fragment of NISTmAb. Journal of Research of the National Institute of Standards and Technology [Internet]. 2019 ;124. Available from: https://nvlpubs.nist.gov/nistpubs/jres/124/jres.124.009.pdf

Collum TD, Lutton E, C Raines D, Dardick C, Culver JN. Identification of phloem-associated translatome alterations during leaf development in L. Hortic Res. 2019 ;6:16.

Aytenfisu AH, Simon R, Mackerell AD. Impact of branching on the conformational heterogeneity of the lipopolysaccharide from Klebsiella pneumoniae: Implications for vaccine design. Carbohydr Res. 2019 ;475:39-47.

Lin F-Y, Mackerell AD. Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins. J Comput Chem. 2019 .

Hudgens JW, Gallagher ES, Karageorgos I, Anderson KW, Filliben JJ, Huang RY-C, Chen G, Bou-Assaf GM, Espada A, Chalmers MJ, et al. Interlaboratory Comparison of Hydrogen-Deuterium Exchange Mass Spectrometry Measurements of the Fab Fragment of NISTmAb. Anal Chem. 2019 .

Molina-Crespo A, Cadete A, Sarrio D, Gamez-Chiachio M, Martinez L, Chao K, Olivera A, Gonella A, Diaz E, Palacios J, et al. Intracellular delivery of an antibody targeting Gasdermin-B reduces HER2 breast cancer aggressiveness. Clin Cancer Res. 2019 .

Mackerell AD. Ions Everywhere? Mg in the μ-Opioid GPCR and Atomic Details of Their Impact on Function. Biophys J. 2019 .

Yang H, Luo D, Etobayeva I, Li X, Gong Y, Wang S, Li Q, Xu P, Yin W, He J, et al. Linker editing of pneumococcal lysin ClyJ conveys improved bactericidal activity. Antimicrob Agents Chemother. 2019 .

Wang T, Nguyen A, Zhang L, Turko IV. Mass spectrometry enumeration of filamentous M13 bacteriophage. Anal Biochem. 2019 ;582:113354.

Pal LR, Kundu K, Yin Y, Moult J. Matching whole genomes to rare genetic disorders: Identification of potential causative variants using phenotype-weighted knowledge in the CAGI SickKids5 clinical genomes challenge. Hum Mutat. 2019 .

Bergonzo C, Grishaev A. Maximizing accuracy of RNA structure in refinement against residual dipolar couplings. J Biomol NMR. 2019 .

An J, Zeng T, Ji C, de Graaf S, Zheng Z, Xiao TTing, Deng X, Xiao S, Bisseling T, Limpens E, et al. A Medicago truncatula SWEET transporter implicated in arbuscule maintenance during arbuscular mycorrhizal symbiosis. New Phytol. 2019 .

Bedrov D, Piquemal J-P, Borodin O, Mackerell AD, Roux B, Schröder C. Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields. Chem Rev. 2019 .