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New Jersey Research Center for Environmental Bioinformatics and Computational Toxicology

Grant Number R832721


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  • Book Chapter (4)
  • Journal Article (20)
  • Reference Type Citation Progress Report Year Document Sources
    Book Chapter Floudas CA, Fung HK. Mathematical modeling and optimization methods for de novo protein design. In: Rigoutsos I, Stephanopoulos G, eds. Systems Biology, Volume II: Networks, Models, and Applications. Chapter 2. USA: Oxford University Press, 2006, pp. 42-66. R832721 (2007)
    R832721C005 (2006)
  • Full-text: Oxford University Press Book URL
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  • Book Chapter Isukapalli SS, Roy A. General principles of programming (computer and statistical). In: Ette EI, Williams PJ, eds. Pharmacometrics: The Science of Quantitative Pharmacology. Chapter 2. Wiley, 2007, pp. 25-52. R832721 (2007)
    R832721C001 (2006)
  • Full-text: Wiley Book URL
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  • Book Chapter Isukapalli SS, Roy A, Georgopoulos PG. Physiologically based pharmacokinetic modeling: inhalation, ingestion, and dermal absorption. In: Ette EI, Williams PJ, eds. Pharmacometrics: The Science of Quantitative Pharmacology. Chapter 43. Wiley, 2007, pp. 1069-1106. R832721 (2007)
    R832721C001 (2006)
  • Full-text: Wiley Book URL
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  • Book Chapter Welsh WJ, Tong W, Georgopoulos PG. Toxicoinformatics: an introduction. In: Ekins S, ed. Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals. Chapter 6. Wiley, 2007, pp. 151-181. R832721 (2007)
    R832721C001 (2006)
    R832721C004 (2006)
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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)
  • Abstract from PubMed
  • 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 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. 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 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 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, Calvano SE, Lowry SF, Androulakis IP. An indirect response model of endotoxin-induced systemic inflammation. Journal of Critical Care 2007;22(4):337-338. R832721 (2007)
  • Abstract: Rutgers Abstract
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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)
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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):1567-7230. R832721 (2007)
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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 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 Rajgaria R, McAllister SR, Floudas CA. A novel high resolution Cα—Cα distance dependent force field based on a high quality decoy set. Proteins: Structure, Function, and Bioinformatics 2006;65(3):726-741. R832721 (2007)
    R832721C005 (2006)
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  • Journal Article Wang CY, Ai N, Arora S, Erenrich E, Nagarajan K, Zauhar R, Young D, Welsh WJ. Identification of previously unrecognized antiestrogenic chemicals using a novel virtual screening approach. Chemical Research in Toxicology 2006;19(12):1595-1601. R832721C004 (2006)
    not available
    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, 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, 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)
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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)
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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)
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    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.


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