Grantee Research Project Results
Journal Publications Details for Grant Number R832721
Environmental Bioinformatics and Computational Toxicology Center
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Computational Toxicology: Environmental Bioinformatics Research Center (2004)
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Reference Type | Citation | Progress Report Year | Document Sources |
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Journal Article | Ai N, Krasowski MD, Welsh WJ, Ekins S. Understanding nuclear receptors using computational methods. Drug Discovery Today 2009;14(9-10):486-494. |
R832721 (2008) |
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Journal Article | Almon RR, Yang E, Lai W, Androulakis IP, Ghimbovschi S, Hoffman EP, Jusko WJ, DuBois DC. Relationships between circadian rhythms and modulation of gene expression by glucocorticoids in skeletal muscle. American Journal of Physiology-Regulatory, Integrative and Comparative Physiology 2008;295(4):R1031-R1047. |
R832721 (2008) |
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Journal Article | Almon RR, Yang E, Lai W, Androulakis IP, DuBois DC, Jusko WJ. Circadian variations in rat liver gene expression: relationships to drug actions. Journal of Pharmacology and Experimental Therapeutics 2008;326(3):700-716. |
R832721 (2008) |
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Journal Article | Androulakis IP, Yang E, Almon RR. Analysis of time-series gene expression data:methods, challenges, and opportunities. Annual Review of Biomedical Engineering 2007;9:205-228. |
R832721 (2007) |
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Journal Article | Arora S, Wang X, Keenan S, Andaya C, Zhang Q, Peng Y, Welsh W. Novel Microtubule Polymerization Inhibitor with Potent Antiproliferative and Antitumor Activity. CANCER RESEARCH 2009;69(5):1910-1915 |
R832721 (Final) |
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Journal Article | Baliban RC, DiMaggio PA, Plazas-Mayorca MD, Young NL, Garcia BA, Floudas CA. A novel approach for untargeted post-translational modification identification using integer linear optimization and tandem mass spectrometry. Molecular and Cellular Proteomics 2010;9(5):764-779. |
R832721 (Final) |
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Journal Article | Bellows ML, Fung HK, Taylor MS, Floudas CA, Lopez de Victoria A, Morikis D. New compstatin variants through two de novo protein design frameworks. Biophysical Journal 2010;98(10):2337-2346. |
R832721 (Final) |
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Journal Article | Bellows M, Floutas C. Computational Methods for De novo Protein Design and its Applications to the Human Immunodeficiency Vir 1, Purine Nucleoside Phosphorylase, Ubiquitin Specific Protease 7, and Histone Demethylases. CURRENT DRUG TARGETS 2010;11(3):264-278. |
R832721 (Final) |
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Journal Article | Brell G, Li G, Rabitz H. An efficient algorithm to accelerate the discovery of complex material formulations. The Journal of Chemical Physics 2010;132(17):174103-174110. |
R832721 (Final) |
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Journal Article | Chekmarev DS, Kholodovych V, Balakin KV, Ivanenkov Y, Ekins S, Welsh WJ. Shape signatures: new descriptors for predicting cardiotoxicity in silico. Chemical Research in Toxicology 2008;21(6):1304-1314. |
R832721 (2008) |
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Journal Article | Chekmarev D, Kholodovych V, Kortagere S, Welsh WJ, Ekins S. Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors. Pharmaceutical Research 2009;26(9):2216-2224. |
R832721 (2008) |
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Journal Article | Chen M, Martin J, Fang H, Isukapalli S, Georgopoulos PG, Welsh WJ, Tong W. ebTrack: an environmental bioinformatics system built upon ArrayTrackTM. BMC Proceedings 2009;3(Suppl 2):S5. |
R832721 (2008) |
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Journal Article | Cohen Hubal EA, Richard A, Aylward L, Edwards S, Gallagher J, Goldsmith M-R, Isukapalli S, Tornero-Velez R, Weber E, Kavlock R. Advancing exposure characterization for chemical evaluation and risk assessment. Journal of Toxicology and Environmental Health-Part B-Critical Reviews 2010;13(2-4):299-313. |
R832721 (Final) |
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Journal Article | Davis E, Ierapetritou M. A kriging method for the solution of nonlinear programs with black-box functions. AIChE Journal 2007;53(8):2001-2012. |
R832721 (2007) |
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Journal Article | Davis E, Ierapetritou M. A kriging based method for the solution of mixed-integer nonlinear programs containing black-box functions. JOURNAL OF GLOBAL OPTIMIZATION 2009;43(2-3):191-205. |
R832721 (Final) |
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Journal Article | Davis E, Ierapetritou M. A centroid-based sampling strategy for kriging global modeling and optimization. AIChE Journal 2010;56(1):220-240. |
R832721 (2008) |
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Journal Article | DiMaggio Jr PA, Floudas CA. De novo peptide identification via tandem mass spectrometry and integer linear optimization. Analytical Chemistry 2007;79(4):1433-1446. |
R832721 (2007) |
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Journal Article | DiMaggio Jr PA, Floudas CA. A mixed-integer optimization framework for de novo peptide identification. AIChE Journal 2007;53(1):160-173. |
R832721 (2007) R832721C005 (2006) |
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Journal Article | DiMaggio Jr. PA, Floudas CA, Lu B, Yates III JR. A hybrid method for peptide identification using integer linear optimization, local database search, and quadrupole time-of-flight or OrbiTrap tandem mass spectrometry. Journal of Proteome Research 2008;7(4):1584-1593. |
R832721 (2008) |
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Journal Article | DiMaggio Jr PA, McAllister SR, Floudas CA, Feng X-J, Rabinowitz JD, Rabitz HA. Optimal methods for re-ordering data matrices in systems biology and drug discovery applications. Biophysical Reviews and Letters 2008;3(1-2):19-42. |
R832721 (2008) |
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Journal Article | DiMaggio Jr PA, McAllister SR, Floudas CA, Feng X-J, Rabinowitz JD, Rabitz HA. Biclustering via optimal re-ordering of data matrices in systems biology: rigorous methods and comparative studies. BMC Bioinformatics 2008;9:458-473. |
R832721 (2008) |
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Journal Article | DiMaggio Jr. PA, McAllister SR, Floudas CA, Feng X-J, Rabinowitz JD, Rabitz HA. Enhancing molecular discovery using descriptor-free rearrangement clustering techniques for sparse data sets. AIChE Journal 2010;56(2):405-418. |
R832721 (Final) |
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Journal Article | DiMaggio Jr PA, McAllister SR, Floudas CA, Feng X-J, Rabinowitz JD, Rabitz HA. A network flow model for biclustering via optimal re-ordering of data matrices. Journal of Global Optimization 2010;47(3):343-354. |
R832721 (2008) R832721 (Final) |
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Journal Article | DiMaggio Jr. PA, Subramani A, Judson RS, Floudas CA. A novel framework for predicting in vivo toxicities from in vitro data using optimal methods for dense and sparse matrix re-ordering and logistic regression. Toxicological Sciences 2010;118(1):251-265. |
R832721 (Final) |
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Journal Article | DiMaggio Jr. PA, Young NL, Baliban RC, Garcia BA, Floudas CA. A mixed integer linear optimization framework for the identification and quantification of targeted post-translational modifications of highly modified proteins using multiplexed electron transfer dissociation tandem mass spectrometry. Molecular and Cellular Proteomics 2009;8(11):2527-2543. |
R832721 (Final) |
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Journal Article | Dong X, Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. Agent-based modeling of endotoxin-induced acute inflammatory response in human blood leukocytes. PLoS One 2010;5(2):e9249. |
R832721 (Final) |
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Journal Article | Efstathiou C, Isukapalli S, Georgopoulos P. A mechanistic modeling system for estimating large scale emissions and transport of pollen and co-allergens. Atmospheric Environment 2011;45(13):2260-2276. |
R832721 (Final) R834547 (2010) R834547 (Final) |
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Journal Article | Ekins S, Chang C, Mani S, Krasowski MD, Reschly EJ, Iyer M, Kholodovych V, Ai N, Welsh WJ, Sinz M, Swaan PW, Patel R, Bachmann K. Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites. Molecular Pharmacology 2007;72(3):592-603. |
R832721 (2007) |
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Journal Article | Ekins S, Kholodovych V, Ai N, Sinz M, Gal J, Gera L, Welsh WJ, Bachmann K, Mani S. Computational discovery of novel low micromolar human pregnane X receptor antagonists. Molecular Pharmacology 2008;74(3):662-672. |
R832721 (2008) |
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Journal Article | Feng X, Sanchis J, Reetz MT, Rabitz H. Enhancing the efficiency of directed evolution in focused enzyme libraries by the adaptive substituent reordering algorithm. Chemistry-A European Journal 2012;18(18):5646-5654. |
R832721 (Final) |
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Journal Article | Floudas CA. Computational methods in protein structure prediction. Biotechnology and Bioengineering 2007;97(2):207-213. |
R832721 (2007) |
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Journal Article | Foteinou PT, Yang E, Androulakis IP. Networks, biology and systems engineering: a case study in inflammation. Computers & Chemical Engineering 2009;33(12):2028-2041. |
R832721 (Final) |
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Journal Article | Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. Translational potential of systems-based models of inflammation. Clinical and Translational Science 2009;2(1):85-89. |
R832721 (2008) |
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Journal Article | Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. Modeling endotoxin-induced systemic inflammation using an indirect response approach. Mathematical Biosciences 2009;217(1):27-42. |
R832721 (2008) |
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Journal Article | Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. In silico simulation of corticosteroids effect on an NFkB-dependent physicochemical model of systemic inflammation. PLoS One 2009;4(3):e4706. |
R832721 (2008) |
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Journal Article | Foteinou PT, Yang E, Saharidis GK, Ierapetritou MG, Androulakis IP. A mixed-integer optimization framework for the synthesis and analysis of regulatory networks. Journal of Global Optimization 2009;43(2-3):263-276. |
R832721 (2008) |
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Journal Article | Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. Multiscale model for the assessment of autonomic dysfunction in human endotoxemia. Physiological Genomics 2010;42(1):5-19. |
R832721 (Final) |
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Journal Article | Foteinou P, Calvano S, Lowry S, Androulakis I. A physiological model for autonomic heart rate regulation in human endotoxemia. SHOCK 2011;35(3):229-239. |
R832721 (Final) |
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Journal Article | Fung HK, Welsh WJ, Floudas CA. Computational de novo peptide and protein design: rigid templates versus flexible templates. Industrial & Engineering Chemistry Research 2008;47(4):993-1001. |
R832721 (2007) R832721 (2008) |
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Journal Article | Fung HK, Floudas CA, Taylor MS, Zhang L, Morikis D. Toward full-sequence de novo protein design with flexible templates for human beta-defensin-2. Biophysical Journal 2008;94(2):584-599. |
R832721 (2008) |
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Journal Article | Georgopoulos PG. A multiscale approach for assessing the interactions of environmental and biological systems in a holistic health risk assessment framework. Water, Air, & Soil Pollution: Focus 2008;8(1):3-21. |
R832721 (2007) R832721 (2008) R832721C001 (2006) R832721C001 (2007) |
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Journal Article | Georgopoulos PG, Sasso AF, Isukapalli SS, Lioy PJ, Vallero DA, Okino M, Reiter L. Response to "µg/kg-day or µg/day? A commentary on Georgopoulos et al., JESEE 2008." Journal of Exposure Science & Environmental Epidemiology 2008;18(6):536-537 (author reply). |
R832721 (2008) |
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Journal Article | Georgopoulos PG, Wang S-W, Yang Y-C, Xue J, Zartarian VG, McCurdy T, Ozkaynak H. Biologically based modeling of multimedia, multipathway, multiroute population exposures to arsenic. Journal of Exposure Science & Environmental Epidemiology 2008;18(5):462-476. |
R832721 (2008) |
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Journal Article | Georgopoulos PG, Sasso AF, Isukapalli SS, Lioy PJ, Vallero DA, Okino M, Reiter L. Reconstructing population exposures to environmental chemicals from biomarkers: challenges and opportunities. Journal of Exposure Science & Environmental Epidemiology 2009;19(2):149-171. |
R832721 (2008) |
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Journal Article | Gerecke DR, Chen M, Isukapalli SS, Gordon MK, Chang Y-C, Tong W, Androulakis IP, Georgopoulos PG. Differential gene expression profiling of mouse skin after sulfur mustard exposure: extended time response and inhibitor effect. Toxicology and Applied Pharmacology 2009;234(2):156-165. |
R832721 (2008) |
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Journal Article | Halai R, Bellows-Peterson M, Branchett W, Smadbeck J, Kieslich C, Croker D, Cooper M, Morikis D, Woodruff T, Floudas C, Monk P. Derivation of ligands for the complement C3a receptor from the C-termin of C5a. EUROPEAN JOURNAL OF PHARMACOLOGY 2014;745:176-181. |
R832721 (Final) |
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Journal Article | Isukapalli SS, Lioy PJ, Georgopoulos PG. Mechanistic modeling of emergency events: assessing the impact of hypothetical releases of anthrax. Risk Analysis 2008;28(3):723-740. |
R832721 (2008) |
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Journal Article | Iyer VV, Ovacik MA, Androulakis IP, Roth CM, Ierapetritou MG. Transcriptional and metabolic flux profiling of triadimefon effects on cultured hepatocytes. Toxicology and Applied Pharmacology 2010;248(3):165-177. |
R832721 (Final) |
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Journal Article | Iyer VV, Yang H, Ierapetritou MG, Roth CM. Effects of glucose and insulin on HepG2-C3A cell metabolism. Biotechnology and Bioengineering 2010;107(2):347-356. |
R832721 (2008) R832721 (Final) |
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Journal Article | Izmailov S, Feng XJ, Li G, Rabitz H. A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries. Journal of Mathematical Chemistry 2012;50(7):1765-1790. |
R832721 (Final) |
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Journal Article | Jiao Y, Su M, Chen M, Jia W, Chou Y, Huang Z, Yang N, Tong W. LC/ESI-MS method for the determination of trimetazidine in human plasma: application to a bioequivalence study on Chinese volunteers. Journal of Pharmaceutical and Biomedical Analysis 2007;43(5):1804-1807. |
R832721 (2007) |
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Journal Article | Jornsten R, Ouyang M, Wang H-Y. A meta-data based method for DNA microarray imputation. BMC Bioinformatics 2007;8:109. |
R832721 (2007) |
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Journal Article | Jornsten R, Keles S. Mixture models with multiple levels, with application to the analysis of multifactor gene expression data. Biostatistics 2008;9(3):540-554. |
R832721 (2008) |
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Journal Article | Jornsten R. Simultaneous model selection via rate-distortion theory, with applications to cluster and significance analysis of gene expression data. Journal of Computational & Graphical Statistics 2009;18(3):613-639. |
R832721 (2007) |
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Journal Article | Kortagere S, Chekmarev D, Welsh W, Ekins S. Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators. PHARMACEUTICAL RESEARCH 2008;26(4):1001-1011 |
R832721 (Final) |
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Journal Article | Kortagere S, Chekmarev D, Welsh WJ, Ekins S. New predictive models for blood-brain barrier permeability of drug-like molecules. Pharmaceutical Research 2008;25(8):1836-1845. |
R832721 (2008) |
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Journal Article | Kortagere S, Ekins S, Welsh WJ. Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships. Journal of Molecular Graphics and Modelling 2008;27(2):170-177. |
R832721 (2008) |
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Journal Article | Kortagere S, Welsh W, Morrisey J, Daly T, Ejigiri I, Sinnis P, Vaidya A, Bergman L. Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparum. JOURNAL OF CHEMICAL INFORMATION AND MODELING 2010;50(5):840-849 |
R832721 (Final) |
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Journal Article | Lerapetritou MG, Georgopoulos PG, Roth CM, Androulakis IP. Tissue-level modeling of xenobiotic metabolism in liver: an emerging tool for enabling clinical translational research. Clinical and Translational Science 2009;2(3):228-237. |
R832721 (2008) |
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Journal Article | Li C, Ai N, Dinh G, Welsh W, Chen J. Human ADA3 regulates RARα transcriptional activity through direct contact between LxxLL motifs and the receptor coactivator pocket. NUCLEIC ACIDS RESEARCH 2010;38(16):5291-5303 |
R832721 (Final) |
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Journal Article | Li C-W, Ai N, Dinh GK, Welsh WJ, Chen JD. Human ADA3 regulates RARα transcriptional activity through direct contact between LxxLL motifs and the receptor coactivator pocket. Nucleic Acids Research 2010;38(16):5291-5303. |
R832721 (2008) R832721 (Final) |
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Journal Article | Li G, Rabitz H, Hu J, Chen Z, Ju Y. Regularized random-sampling high dimensional model representation (RS-HDMR). Journal of Mathematical Chemistry 2008;43(3):1207-1232. |
R832721 (2007) R832721 (2008) |
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Journal Article | Li G, Rabitz H, Yelvington PE, Oluwole OO, Bacon F, Kolb CE, Schoendorf J. Global sensitivity analysis for systems with independent and/or correlated inputs. Journal of Physical Chemistry A 2010;114(19):6022-6032. |
R832721 (2008) R832721 (Final) R835826 (Final) |
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Journal Article | Li G, Rabitz H. D-MORPH regression: application to modeling with unknown parameters more than observation data. Journal of Mathematical Chemistry 2010;48(4):1010-1035. |
R832721 (Final) |
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Journal Article | Lin Y, Yassuda K, Assem M, Cline C, Barber J, Li C, Kholodovych V, Ai N, Chen J, Welsh W, Ekins S, Schuetz E. The Major Human Pregnane X Receptor PXR Splice Variant, PXR.2, Exhibits Significantly Diminished Ligand-Activated Transcriptional Regulation. DRUG METABOLISM AND DISPOSITION 2009;37(6):1295-1304. |
R832721 (Final) |
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Journal Article | McAllister SR, Mickus BE, Klepeis JL, Floudas CA. Novel approach for α-helical topology prediction in globular proteins:generation of interhelical restraints. Proteins:Structure, Function, and Bioinformatics 2006;65(4):930-952. |
R832721 (2007) |
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Journal Article | McAllister SR, Floudas CA. α-helical topology prediction and generation of distance restraints in membrane proteins. Biophysical Journal 2008;95(11):5281-5295. |
R832721 (2008) R832721 (Final) |
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Journal Article | McAllister SR, Rajgaria R, Floudas CA. A path selection approach to global pairwise sequence alignment using integer linear optimization. Optimization: A Journal of Mathematical Programming and Operations Research 2008;57(1):101-111. |
R832721 (2008) |
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Journal Article | McAllister SR, Feng X-J, DiMaggio Jr PA, Floudas CA, Rabinowitz JD, Rabitz H. Descriptor-free molecular discovery in large libraries by adaptive substituent reordering. Bioorganic & Medicinal Chemistry Letters 2008;18(22):5967-5970. |
R832721 (2008) |
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Journal Article | McAllister SR, Floudas CA. Enhanced bounding techniques to reduce the protein conformational search space. Optimization Methods & Software 2009;24(4-5):837-855. |
R832721 (2008) |
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Journal Article | McAllister SR, DiMaggio Jr PA, Floudas CA. Mathematical modeling and efficient optimization methods for the distance-dependent rearrangement clustering problem. Journal of Global Optimization 2009;45(1):111-129. |
R832721 (2008) |
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Journal Article | McAllister SR, Floudas CA. An improved hybrid global optimization method for protein tertiary structure prediction. Computational Optimization and Applications 2010;45(2):377-413. |
R832721 (2008) R832721 (Final) |
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Journal Article | Nguyen TT, Nowakowski RS, Androulakis IP. Unsupervised selection of highly coexpressed and noncoexpressed genes using a consensus clustering approach. OMICS 2009;13(3):219-237. |
R832721 (2008) |
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Journal Article | Nguyen TT, Almon RR, DuBois DC, Jusko WJ, Androulakis IP. Importance of replication in analyzing time-series gene expression data: corticosteroid dynamics and circadian patterns in rat liver. BMC Bioinformatics 2010;11:279. |
R832721 (Final) |
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Journal Article | Nguyen TT, Foteinou PT, Calvano SE, Lowry SF, Androulakis IP. Computational identification of transcriptional regulators in human endotoxemia. PLoS One 2011;6(5):e18889. |
R832721 (Final) |
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Journal Article | Nguyen T, Almon R, DuBOis D, Jko W, Androulakis I. Comparative analysis of acute and chronic corticosteroid pharmacogenomic effects in rat liver:Transcriptional dynamics and regulatory structures. BMC BIOINFORMATICS 2010;11:515. |
R832721 (Final) |
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Journal Article | Oelschlaeger P, Ai N, DuPrez KT, Welsh WJ, Toney JH. Evolving carbapenemases: can medicinal chemists advance one step ahead of the coming storm? Journal of Medicinal Chemistry 2010;53(8):3013-3027. |
R832721 (Final) |
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Journal Article | Orman M, Arai K, Yarmush M, Androulakis I, Berthiaume F, Ierapetritou M. Metabolic flux determination in perfused livers by mass balance analysis: Effect of fasting. BIOTECHNOLOGY AND BIOENGINEERING 2010;107(5):825-835 |
R832721 (Final) |
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Journal Article | Ovacik MA, Androulakis IP. On the potential for integrating gene expression and metabolic flux data. Current Bioinformatics 2008;3(3):142-148. |
R832721 (2008) |
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Journal Article | Ovacik MA, Sukumaran S, Almon RR, DuBois DC, Jusko WJ, Androulakis IP. Circadian signatures in rat liver: from gene expression to pathways. BMC Bioinformatics 2010;11:540. |
R832721 (2008) R832721 (Final) |
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Journal Article | Ovacik MA, Androulakis IP. Enzyme sequence similarity improves the reaction alignment method for cross-species pathway comparison. Toxicology and Applied Pharmacology 2013;271(3):363-371. |
R832721 (2008) R832721 (Final) |
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Journal Article | Ovacik MA, Sen B, Euling SY, Gaido KW, Ierapetritou MG, Androulakis IP. Pathway modeling of microarray data: a case study of pathway activity changes in the testis following in utero exposure to dibutyl phthalate (DBP). Toxicology and Applied Pharmacology 2013;271(3):386-394. |
R832721 (Final) |
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Journal Article | Piazza M, Feng X-J, Rabinowitz JD, Rabitz H. Diverse metabolic model parameters generate similar methionine cycle dynamics. Journal of Theoretical Biology 2008;251(4):628-639. |
R832721 (2008) |
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Journal Article | Rabinowitz JD, Hsiao JJ, Gryncel KR, Kantrowitz ER, Feng X-J, Li G, Rabitz H. Dissecting enzyme regulation by multiple allosteric effectors: nucleotide regulation of aspartate transcarbamoylase. Biochemistry 2008;47(21):5881-5888. |
R832721 (2008) |
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Journal Article | Rajgaria R, McAllister SR, Floudas CA. A novel high resolution Cα—Cα distance dependent force field based on a high quality decoy set. Proteins 2006;65(3):726-741. |
R832721 (2007) R832721C005 (2006) R832721C005 (2007) |
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Journal Article | Rajgaria R, McAllister SR, Floudas CA. Distance dependent centroid to centroid force fields using high resolution decoys. Proteins: Structure, Function, Bioinformatics 2008;70(3):950-970. |
R832721 (2008) |
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Journal Article | Rajgaria R, McAllister SR, Floudas CA. Towards accurate residue-residue hydrophobic contact prediction for α helical proteins via integer linear optimization. Proteins: Structure, Function, Bioinformatics 2009;74(4):929-947. |
R832721 (2008) R832721 (Final) |
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Journal Article | Rajgaria R, Wei Y, Floudas CA. Contact prediction for beta and alpha-beta proteins using integer linear optimization and its impact on the first principles 3D structure prediction method ASTRO-FOLD. Proteins 2010;78(8):1825-1846. |
R832721 (Final) |
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Journal Article | Reschly EJ, Ai N, Ekins S, Welsh WJ, Hagey LR, Hofmann AF, Krasowski MD. Evolution of the bile salt nuclear receptor FXR in vertebrates. Journal of Lipid Research 2008;49(7):1577-1587. |
R832721 (2008) |
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Journal Article | Reschly EJ, Ai N, Welsh WJ, Ekins S, Hagey LR, Krasowski MD. Ligand specificity and evolution of liver X receptors. Journal of Steroid Biochemistry and Molecular Biology 2008;110(1-2):83-94. |
R832721 (2008) |
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Journal Article | Saharidis GK, Ierapetritou MG. Resolution method for mixed integer bi-level linear problems based on decomposition technique. Journal of Global Optimization 2009;44(1):29-51. |
R832721 (2008) |
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Journal Article | Saharidis G, Androulakis I, Ierapetritou M. Model building using bi-level optimization. JOURNAL OF GLOBAL OPTIMIZATION 2011;49(1):49-67. |
R832721 (Final) |
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Journal Article | Sasso AF, Isukapalli SS, Georgopoulos PG. A generalized physiologically-based toxicokinetic modeling system for chemical mixtures containing metals. Theoretical Biology and Medical Modelling 2010;7:17. |
R832721 (Final) |
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Journal Article | Sasso AF, Georgopoulos PG, Isukapalli SS, Krishnan K. Bayesian analysis of a lipid-based physiologically based toxicokinetic model for a mixture of PCBs in rats. Journal of Toxicology 2012;2012:895391, doi:10.1155/2012/895391. |
R832721 (2008) |
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Journal Article | Scheff JD, Almon RR, DuBois DC, Jusko WJ, Androulakis IP. A new symbolic representation for the identification of informative genes in replicated microarray experiments. OMICS–A Journal of Integrative Biology 2010;14(3):239-248. |
R832721 (Final) |
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Journal Article | Schnackenberg LK, Chen M, Sun J, Holland RD, Dragan Y, Tong W, Welsh W, Beger RD. Evaluations of the trans-sulfuration pathway in multiple liver toxicity studies. Toxicology and Applied Pharmacology 2009;235(1):25-32. |
R832721 (2008) |
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Journal Article | Stamatelos SK, Brinkerhoff CJ, Isukapalli SS, Georgopoulos PG. Mathematical model of uptake and metabolism of arsenic(III) in human hepatocytes – incorporation of cellular antioxidant response and threshold-dependent behavior. BMC Systems Biology 2011;5:16. |
R832721 (Final) |
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Journal Article | Stamatelos S, Androulakis I, Kong A, Georgopoulos P. A semi-mechanistic integrated toxicokinetic-toxicodynamic (TK/TD) model for arsenic(III) in hepatocytes. JOURNAL OF THEORETICAL BIOLOGY 2013;317:244-256 |
R832721 (Final) |
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Journal Article | Subramani A, DiMaggio P, Floudas C. Selecting High Quality Protein Structures from Diverse Conformational Ensembles. BIOPHYSICAL JOURNAL 2009;97(6):1728-1736. |
R832721 (Final) |
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Journal Article | Sun JJ, Abdeljabbar DM, Clarke N, Bellows ML, Floudas CA, Link AJ. Reconstitution and engineering of apoptotic protein interactions on the bacterial cell surface. Journal of Molecular Biology 2009;394(2):297-305. |
R832721 (Final) |
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Journal Article | Tan MP, Smith EN, Broach JR, Floudas CA. Microarray data mining: a novel optimization-based approach to uncover biologically coherent structures. BMC Bioinformatics 2008;9:268-289. |
R832721 (2008) |
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Journal Article | Taylor MS, Fung HK, Rajgaria R, Filizola M, Weinstein H, Floudas CA. Mutations affecting the oligomerization interface of G-protein-coupled receptors revealed by a novel de novo protein design framework. Biophysical Journal 2008;94(7):2470-2481. |
R832721 (2008) |
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Journal Article | Xue J, Zartarian V, Wang S-W, Liu SV, Georgopoulos P. Probabilistic modeling of dietary arsenic exposure and dose and evaluation with 2003-2004 NHANES data. Environmental Health Perspectives 2010;118(3):345-350. |
R832721 (Final) |
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Journal Article | Yang EH, Almon RR, Dubois DC, Jusko WJ, Androulakis IP. Identification of global transcriptional dynamics. PLoS One 2009;10;4(7):e5992. |
R832721 (2008) |
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Journal Article | Yang E, Maguire T, Yarmush ML, Berthiaume F, Androulakis IP. Bioinformatics analysis of the early inflammatory response in a rat thermal injury model. BMC Bioinformatics 2007;8:10. |
R832721 (2007) |
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Journal Article | Yang E, Simcha D, Almon RR, Dubois DC, Jusko WJ, Androulakis IP. Context specific transcription factor prediction. Annals of Biomedical Engineering 2007;35(6):1053-1067. |
R832721 (2007) |
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Journal Article | Yang E, Foteinou PT, King KR, Yarmush ML, Androulakis IP. A novel non-overlapping bi-clustering algorithm for network generation using living cell array data. Bioinformatics 2007;23(17):2306-2313. |
R832721 (2007) |
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Journal Article | Yang E, Maguire T, Yarmush ML, Androulakis IP. Informative gene selection and design of regulatory networks using integer optimization. Computers & Chemical Engineering 2008;32(4-5):633-649. |
R832721 (2007) R832721 (2008) |
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Journal Article | Yang E, Maguire TJ, Yarmush ML, Berthiaume F, Androulakis IP. Identification of regulatory mechanisms of the hepatic response to thermal injury. Computers & Chemical Engineering 2008;32(1-2):356-369. |
R832721 (2007) R832721 (2008) |
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Journal Article | Yang E, Almon RR, DuBois DC, Jusko WJ, Androulakis IP. Extracting global system dynamics of corticosteroid genomic effects in rat liver. Journal of Pharmacology and Experimental Therapeutics 2008;324(3):1243-1254. |
R832721 (2007) R832721 (2008) |
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Journal Article | Yang E, Androulakis IP. Assessing and selecting gene expression signals based upon the quality of the measured dynamics. BMC Bioinformatics 2009;10:55-67. |
R832721 (2008) |
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Journal Article | Yang E, Yarmush ML, Androulakis IP. Transcription factor network reconstruction using the living cell array. Journal of Theoretical Biology 2009;256(3):393-407. |
R832721 (2008) |
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Journal Article | Yang H, Roth CM, Ierapetritou MG. A rational design approach for amino acid supplementation in hepatocyte culture. Biotechnology and Bioengineering 2009;103(6):1176-1191. |
R832721 (2008) R832721 (Final) |
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Journal Article | Yang H, Ierapetritou MG, Roth CM. Effects of amino acid transport limitations on cultured hepatocytes. Biophysical Chemistry 2010;152(1-3):89-98. |
R832721 (2008) R832721 (Final) |
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Journal Article | Yang H, Roth CM, Ierapetritou MG. Analysis of amino acid supplementation effects on hepatocyte cultures using flux balance analysis. OMICS 2011;15(7-8):449-460. |
R832721 (2008) |
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Journal Article | Yang Y, Xu X, Georgopoulos PG. A Bayesian population PBPK model for multiroute chloroform exposure. Journal of Exposure Science & Environmental Epidemiology 2010;20(4):326-341. |
R832721 (2008) R832721 (Final) |
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Journal Article | Yuan J, Doucette C, Fowler W, Feng X, Piazza M, Rabitz H, Wingreen N, Rabinowitz J. Metabolomics-driven quantitative analysis of ammonia assimilation in E. coli. MOLECULAR SYSTEMS BIOLOGY 2009;5(302). |
R832721 (Final) |
The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.