IBBR Publications

Lemkul JA, Mackerell AD. Balancing the Interactions of Mg(2+) in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model. J Phys Chem B. 2016 ;120(44):11436-11448.

Silin, ii V, Kasianowicz JJ, Michelman-Ribeiro A, Panchal RG, Bavari S, Robertson JWF. Biochip for the Detection of Bacillus anthracis Lethal Factor and Therapeutic Agents against Anthrax Toxins. Membranes (Basel). 2016 ;6(3).

Linhardt A, König M, Schöfberger W, Brüggemann O, Andrianov AK, Teasdale I. Biodegradable Polyphosphazene Based Peptide-Polymer Hybrids. Polymers (20734360) [Internet]. 2016 ;8:1 - 16. Available from: http://search.ebscohost.com.proxy-um.researchport.umd.edu/login.aspx?direct=true&db=a9h&AN=114859311&site=ehost-live

Rohena CC, Telang NS, Da C, Risinger AL, Sikorski JA, Kellogg GE, Gupton JT, Mooberry SL. Biological Characterization of an Improved Pyrrole-Based Colchicine Site Agent Identified through Structure-Based Design. Mol Pharmacol. 2016 ;89(2):287-96.

Lemkul JA, Lakkaraju SKaushik, Mackerell AD. Characterization of Mg(2+) Distributions around RNA in Solution. ACS Omega. 2016 ;1(4):680-688.

Lee J, Cheng X, Swails JM, Yeom MSun, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JCheol, Qi Y, et al. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. J Chem Theory Comput. 2016 ;12(1):405-13.

Ghaffarian R, Herrero EPérez, Oh H, Raghavan SR, Muro S. Chitosan-Alginate Microcapsules Provide Gastric Protection and Intestinal Release of ICAM-1-Targeting Nanocarriers, Enabling GI Targeting In Vivo. Adv Funct Mater. 2016 ;26(20):3382-3393.

Rappaport J, Manthe RL, Solomon M, Garnacho C, Muro S. A Comparative Study on the Alterations of Endocytic Pathways in Multiple Lysosomal Storage Disorders. Mol Pharm. 2016 .

Brumm PJ, Gowda K, Robb FT, Mead DA. The Complete Genome Sequence of Hyperthermophile Dictyoglomus turgidum DSM 6724™ Reveals a Specialized Carbohydrate Fermentor. Front Microbiol. 2016 ;7:1979.

Riley TP, Singh NK, Pierce BG, Weng Z, Baker BM. Computational Modeling of T Cell Receptor Complexes. Methods Mol Biol. 2016 ;1414:319-40.

Riley TP, Singh NK, Pierce BG, Baker BM, Weng Z. Computational Reprogramming of T Cell Antigen Receptor Binding Properties. Methods Mol Biol. 2016 ;1414:305-18.

Wu H-C, Quan DN, Tsao C-Y, Liu Y, Terrell JL, Luo X, Yang J-C, Payne GF, Bentley WE. Conferring biological activity to native spider silk: A biofunctionalized protein-based microfiber. Biotechnol Bioeng. 2016 .

Huang J, Lakkaraju SKaushik, Coop A, Mackerell AD. Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled Receptor. J Phys Chem B. 2016 ;120(46):11897-11904.

Yu C-H, Pal LR, Moult J. Consensus Genome-Wide Expression Quantitative Trait Loci and Their Relationship with Human Complex Trait Disease. OMICS. 2016 ;20(7):400-14.

Borgia A, Zheng W, Buholzer K, Borgia MB, Schüler A, Hofmann H, Soranno A, Nettels D, Gast K, Grishaev A, et al. Consistent View of Polypeptide Chain Expansion in Chemical Denaturants from Multiple Experimental Methods. J Am Chem Soc. 2016 ;138(36):11714-26.

Zargar A, Quan DN, Abutaleb N, Choi E, Terrell JL, Payne GF, Bentley WE. Constructing 'quantized quorums' to guide emergent phenotypes through quorum quenching capsules. Biotechnol Bioeng. 2016 .

Moult J, Fidelis K, Kryshtafovych A, Schwede T, Tramontano A. Critical assessment of methods of protein structure prediction (CASP) - progress and new directions in Round XI. Proteins. 2016 .

Bhokisham N, Pakhchanian H, Quan D, Tschirhart T, Tsao C-Y, Payne GF, Bentley WE. Data on biochemical fluxes generated from biofabricated enzyme complexes assembled through engineered tags and microbial transglutaminase. Data Brief. 2016 ;8:1031-5.

Yang M, d'Ortoli TAngles, Säwén E, Jana M, Widmalm G, Mackerell AD. Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations. Phys Chem Chem Phys. 2016 ;18(28):18776-94.

Soto C, Ofek GA, M Joyce G, Zhang B, McKee K, Longo NS, Yang Y, Huang J, Parks R, Eudailey J, et al. Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8. PLoS One. 2016 ;11(6):e0157409.

Pidugu LSwarna Muk, Mbimba JCEmmanuel, Ahmad M, Pozharski E, Sausville EA, Emadi A, Toth EA. A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. BMC Struct Biol. 2016 ;16(1):1.

Servinsky MD, Terrell JL, Tsao C-Y, Wu H-C, Quan DN, Zargar A, Allen PC, Byrd CM, Sund CJ, Bentley WE. Directed assembly of a bacterial quorum. ISME J. 2016 ;10(1):158-69.

Lakkaraju SKaushik, Lemkul JA, Huang J, Mackerell AD. DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR. J Comput Chem. 2016 ;37(4):416-25.

Senthilmurugan R, Ramamurthy VP, Njar VCO. Dissecting major signaling pathways in prostate cancer development and progression: Mechanisms and novel therapeutic targets. J Steroid Biochem Mol Biol. 2016 .

Ma X, Wang W-M, Bittner F, Schmidt N, Berkey R, Zhang L, King H, Zhang Y, Feng J, Wen Y, et al. Dual and Opposing Roles of Xanthine Dehydrogenase in Defense-Associated Reactive Oxygen Species Metabolism in Arabidopsis. Plant Cell. 2016 .