IBBR Publications

Kundu K, Pal LR, Yin Y, Moult J. Determination of disease phenotypes and pathogenic variants from exome sequence data in the CAGI 4 gene panel challenge. Hum Mutat. 2017 .

Baliban SM, Yang M, Ramachandran G, Curtis B, Shridhar S, Laufer RS, Wang JY, Van Druff J, Higginson EE, Hegerle N, et al. Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa. PLoS Negl Trop Dis. 2017 ;11(4):e0005493.

Kelman LM, Kelman Z. Do Archaea Need an Origin of Replication?. Trends Microbiol. 2017 .

Lin F-Y, Mackerell AD. Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding?. J Phys Chem B. 2017 ;121(28):6813-6821.

Small MC, Aytenfisu AH, Lin F-Y, He X, Mackerell AD. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. J Comput Aided Mol Des. 2017 ;31(4):349-363.

Li H, Chowdhary J, Huang L, He X, Mackerell AD, Roux B. Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic Lipids. J Chem Theory Comput. 2017 .

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 Science [Internet]. 2017 ;267:31. Available from: https://www.sciencedirect.com/science/article/pii/S0168945217307094

Yan K, Liu Y, Zhang J, Correa SO, Shang W, Tsai C-C, Bentley WE, Shen J, Scarcelli G, Raub CB, et al. Electrical Programming of Soft Matter: Using Temporally Varying Electrical Inputs To Spatially Control Self Assembly. Biomacromolecules. 2017 .

Liu X, Liu H, Qu X, Lei M, Zhang C, Hong H, Payne GF, Liu C. Electrical signals triggered controllable formation of calcium-alginate film for wound treatment. J Mater Sci Mater Med. 2017 ;28(10):146.

Tschirhart T, Kim E, Mckay R, Ueda H, Wu H-C, Pottash AEli, Zargar A, Negrete A, Shiloach J, Payne GF, et al. Electronic control of gene expression and cell behaviour in Escherichia coli through redox signalling. Nat Commun. 2017 ;8:14030.

Hwang IYoung, Koh E, Wong A, March JC, Bentley WE, Lee YSeng, Chang MWook. Engineered probiotic Escherichia coli can eliminate and prevent Pseudomonas aeruginosa gut infection in animal models. Nat Commun. 2017 ;8:15028.

Garnacho C, Dhami R, Solomon M, Schuchman EH, Muro S. Enhanced Delivery and Effects of Acid Sphingomyelinase by ICAM-1-Targeted Nanocarriers in Type B Niemann-Pick Disease Mice. Mol Ther. 2017 .

Yin Y, Kundu K, Pal LR, Moult J. Ensemble variant interpretation methods to predict enzyme activity and assign pathogenicity in the CAGI4 NAGLU (Human N-acetyl-glucosaminidase) and UBE2I (Human SUMO-ligase) challenges. Hum Mutat. 2017 .

Huang J, Mei Y, König G, Simmonett AC, Pickard FC, Wu Q, Wang L-P, Mackerell AD, Brooks BR, Shao Y. An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. J Chem Theory Comput. 2017 ;13(2):679-695.

E Raman P, Lakkaraju SKaushik, Denny RAldrin, Mackerell AD. Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches. J Comput Chem. 2017 ;38(15):1238-1251.

Kryshtafovych A, Monastyrskyy B, Fidelis K, Moult J, Schwede T, Tramontano A. Evaluation of the template-based modeling in CASP12. Proteins. 2017 .

Cardenas MG, Oswald E, Yu W, Xue F, Mackerell AD, Melnick AM. The Expanding Role of the BCL6 Oncoprotein as a Cancer Therapeutic Target. Clin Cancer Res. 2017 ;23(4):885-893.

Ragaliauskas T, Mickevicius M, Rakovska B, Penkauskas T, Vanderah DJ, Heinrich F, Valincius G. Fast formation of low-defect-density tethered bilayers by fusion of multilamellar vesicles. Biochim Biophys Acta. 2017 .

Huang J, Mackerell AD. Force field development and simulations of intrinsically disordered proteins. Curr Opin Struct Biol. 2017 ;48:40-48.

Kwegyir-Afful AK, Murigi FN, Purushottamachar P, Ramamurthy VP, Martin MS, Njar VCO. Galeterone and its analogs inhibit Mnk-eIF4E axis, synergize with gemcitabine, impede pancreatic cancer cell migration, invasion and proliferation and inhibit tumor growth in mice. Oncotarget. 2017 ;8(32):52381-52402.

Burkhart BW, uboňová LČ, Heider MR, Kelman Z, Reeve JN, Santangelo TJ. The GAN exonuclease, or the flap endonuclease Fen1 and RNase HII are necessary for viability of Thermococcus kodakarensis. J Bacteriol. 2017 .

Chao KL, Kulakova L, Herzberg O. Gene polymorphism linked to increased asthma and IBD risk alters gasdermin-B structure, a sulfatide and phosphoinositide binding protein. Proc Natl Acad Sci U S A. 2017 ;114(7):E1128-E1137.

Gehring AM, Astling DP, Matsumi R, Burkhart BW, Kelman Z, Reeve JN, Jones KL, Santangelo TJ. Genome Replication in Thermococcus kodakarensis Independent of Cdc6 and an Origin of Replication. Front Microbiol. 2017 ;8:2084.

Wang Y, O'Dell S, Turner HL, Chiang C-I, Lei L, Guenaga J, Wilson R, Martinez-Murillo P, Doria-Rose N, Ward AB, et al. HIV-1 Cross-reactive Primary Virus Neutralizing Antibody Response Elicited by Immunization in Non-human Primate. J Virol. 2017 .

Garnacho C, Muro S. ICAM-1 targeting, intracellular trafficking, and functional activity of polymer nanocarriers coated with a fibrinogen-derived peptide for lysosomal enzyme replacement. J Drug Target. 2017 :1-10.