IBBR Publications

Shang X, Nelson DC. Contributions of Net Charge on the PlyC Endolysin CHAP Domain. Antibiotics (Basel). 2019 ;8(2).

Villa F, Mackerell AD, Roux B, Simonson T. Correction to "Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg". J Phys Chem A. 2019 .

Briggs KT, Taraban MB, Wang W, Y Yu B. Correction to: Nondestructive Quantitative Inspection of Drug Products Using Benchtop NMR Relaxometry-the Case of NovoMix® 30. AAPS PharmSciTech. 2019 ;20(5):214.

Li J, Maniar D, Qu X, Liu H, Tsao C-Y, Kim E, Bentley WE, Liu C, Payne GF. Coupling Self-Assembly Mechanisms to Fabricate Molecularly and Electrically Responsive Films. Biomacromolecules. 2019 .

Kryshtafovych A, Schwede T, Topf M, Fidelis K, Moult J. Critical Assessment of Methods of Protein Structure Prediction (CASP) - Round XIII. Proteins. 2019 .

Pandey P, Aytenfisu AH, Mackerell AD, Mallajosyula SS. Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives. J Chem Theory Comput. 2019 .

Gardner AF, Kelman Z. Editorial: The DNA Replication Machinery as Therapeutic Targets. Front Mol Biosci. 2019 ;6:35.

Li J, Wu S, Kim E, Yan K, Liu H, Liu C, Dong H, Qu X, Shi X, Shen J, et al. Electrobiofabrication: electrically-based fabrication with biologically-derived materials. Biofabrication. 2019 .

Brinson RG, Marino JP, Delaglio F, Arbogast LW, Evans RM, Kearsley A, Gingras G, Ghasriani H, Aubin Y, Pierens GK, et al. Enabling adoption of 2D-NMR for the higher order structure assessment of monoclonal antibody therapeutics. MAbs. 2019 ;11(1):94-105.

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 .