IBBR Publications

Found 2848 results
Aytenfisu AH, Yang M, Mackerell AD. CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses. J Chem Theory Comput. 2018 .
Villa F, Mackerell AD, Roux B, Simonson T. Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg. J Phys Chem A. 2018 ;122(29):6147-6155.
Aleksandrov A, Lin F-Y, Roux B, Mackerell AD. Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model. J Comput Chem. 2018 .
Wu Y, Ma X, Pan Z, Kale SD, Song Y, King H, Zhang Q, Presley C, Deng X, Wei C-I, et al. Comparative genome analyses reveal sequence features reflecting distinct modes of host-adaptation between dicot and monocot powdery mildew. BMC Genomics. 2018 ;19(1):705.
An J, Sun M, van Velzen R, Ji C, Zheng Z, Limpens E, Bisseling T, Deng X, Xiao S, Pan Z. Comparative transcriptome analysis of Poncirus trifoliata identifies a core set of genes involved in arbuscular mycorrhizal symbiosis. J Exp Bot. 2018 ;69(21):5255-5264.
König G, Pickard FC, Huang J, Thiel W, Mackerell AD, Brooks BR, York DM. A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes. Molecules. 2018 ;23(10).
Guest JD, Pierce BG. Computational Modeling of Hepatitis C Virus Envelope Glycoprotein Structure and Recognition. Front Immunol. 2018 ;9:1117.
S Hasan S, Sun C, Kim AS, Watanabe Y, Chen C-L, Klose T, Buda G, Crispin M, Diamond MS, Klimstra WB, et al. Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization. Cell Rep. 2018 ;25(11):3136-3147.e5.
D Gallagher T, Karageorgos I, Hudgens JW, Galvin CV. Data on crystal organization in the structure of the Fab fragment from the NIST reference antibody, RM 8671. Data Brief. 2018 ;16:29-36.
Sun D, Lakkaraju SKaushik, Jo S, Mackerell AD. Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water. J Chem Theory Comput. 2018 .
Mouchahoir T, Schiel JE. Development of an LC-MS/MS peptide mapping protocol for the NISTmAb. Anal Bioanal Chem. 2018 ;410(8):2111-2126.
Mckay R, Hauk P, Quan D, Bentley WE. Development of Cell-Based Sentinels for Nitric Oxide: Ensuring Marker Expression and Unimodality. ACS Synth Biol. 2018 ;7(7):1694-1701.
Turner A, Yandrofski K, Telikepalli S, King J, Heckert A, Filliben J, Ripple D, Schiel JE. Development of orthogonal NISTmAb size heterogeneity control methods. Anal Bioanal Chem. 2018 ;410(8):2095-2110.
Etobayeva I, Linden SB, Alem F, Harb L, Rizkalla L, Mosier PD, Johnson AA, Temple L, Hakami RM, Nelson DC. Discovery and Biochemical Characterization of PlyP56, PlyN74, and PlyTB40- Specific Endolysins. Viruses. 2018 ;10(5).
Altieri AS, Kelman Z. DNA Sliding Clamps as Therapeutic Targets. Front Mol Biosci. 2018 ;5:87.
Hu Y, Li Y, Hou F, Wan D, Cheng Y, Han Y, Gao Y, Liu J, Guo Y, Xiao S, et al. Ectopic expression of Arabidopsis broad-spectrum resistance gene RPW8.2 improves the resistance to powdery mildew in grapevine (Vitis vinifera). Plant Sci. 2018 ;267:20-31.
Tyukhtenko S, Rajarshi G, Karageorgos I, Zvonok N, Gallagher ES, Huang H, Vemuri K, Hudgens JW, Ma X, Nasr ML, et al. Effects of Distal Mutations on the Structure, Dynamics and Catalysis of Human Monoacylglycerol Lipase. Sci Rep. 2018 ;8(1):1719.
Li Y, Liu Y, Kim E, Song Y, Tsao C-Y, Teng Z, Gao T, Mei L, Bentley WE, Payne GF, et al. Electrodeposition of a magnetic and redox-active chitosan film for capturing and sensing metabolic active bacteria. Carbohydr Polym. 2018 ;195:505-514.
Qu X, Liu H, Zhang C, Lei Y, Lei M, Xu M, Jin D, Li P, Yin M, Payne GF, et al. Electrofabrication of Functional Materials: Chloramine-based Antimicrobial Film for Infectious Wound Treatment. Acta Biomater. 2018 .
Virgile C, Hauk P, Wu H-C, Shang W, Tsao C-Y, Payne GF, Bentley WE. Engineering bacterial motility towards hydrogen-peroxide. PLoS One. 2018 ;13(5):e0196999.
Sampey D, Courville P, Acree D, Hausfeld J, Bentley WE. Enhanced expression of a biosimilar monoclonal antibody with a novel NS0 platform. Biotechnol Prog. 2018 .
Stauder CM, Nuss DL, Zhang D-X, Double ML, MacDonald WL, Metheny AM, Kasson MT. Enhanced hypovirus transmission by engineered super donor strains of the chestnut blight fungus, Cryphonectria parasitica, into a natural population of strains exhibiting diverse vegetative compatibility genotypes. Virology. 2018 ;528:1-6.
Kim E, Liu Z, Liu Y, Bentley WE, Payne GF. Erratum: Catechol-Based Hydrogel for Chemical Information Processing. 2017, , 11. Biomimetics (Basel). 2018 ;3(2).
Ha J-H, Hauk P, Cho K, Eo Y, Ma X, Stephens K, Cha S, Jeong M, Suh J-Y, Sintim HO, et al. Evidence of link between quorum sensing and sugar metabolism in revealed via cocrystal structures of LsrK and HPr. Sci Adv. 2018 ;4(6):eaar7063.
Yu W, Jo S, Lakkaraju SKaushik, Weber DJ, Mackerell AD. Exploring protein-protein interactions using the Site-Identification by Ligand Competitive Saturation (SILCS) methodology. Proteins. 2018 .