Christodoulos A. Floudas - Publications

Affiliations: 
Chemical and Biological Engineering Princeton University, Princeton, NJ 
Website:
http://www.princeton.edu/cbe/people/faculty/floudas/

222 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any innacuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Beykal B, Boukouvala F, Floudas CA, Pistikopoulos EN. Optimal Design of Energy Systems Using Constrained Grey-Box Multi-Objective Optimization. Computers & Chemical Engineering. 116: 488-502. PMID 30546167 DOI: 10.1016/j.compchemeng.2018.02.017  0.88
2018 Onel M, Kieslich CA, Guzman YA, Floudas CA, Pistikopoulos EN. Big Data Approach to Batch Process Monitoring: Simultaneous Fault Detection and Diagnosis Using Nonlinear Support Vector Machine-based Feature Selection. Computers & Chemical Engineering. 115: 46-63. PMID 30386002 DOI: 10.1016/j.compchemeng.2018.03.025  0.6
2017 Khoury GA, Smadbeck J, Kieslich CA, Koskosidis AJ, Guzman YA, Tamamis P, Floudas CA. Princeton_TIGRESS 2.0: High refinement consistency and net gains through support vector machines and molecular dynamics in double-blind predictions during the CASP11 experiment. Proteins. PMID 28241391 DOI: 10.1002/prot.25274  0.6
2016 Kieslich CA, Smadbeck J, Khoury GA, Floudas C. conSSert: Consensus SVM model for accurate prediction of ordered secondary structure. Journal of Chemical Information and Modeling. PMID 26928531 DOI: 10.1021/acs.jcim.5b00566  1
2016 Kieslich CA, Tamamis P, Guzman YA, Onel M, Floudas CA. Highly Accurate Structure-Based Prediction of HIV-1 Coreceptor Usage Suggests Intermolecular Interactions Driving Tropism. Plos One. 11: e0148974. PMID 26859389 DOI: 10.1371/journal.pone.0148974  1
2016 Zhang H, Huang Q, Bei Z, Wei Y, Floudas CA. COMSAT: Residue contact prediction of transmembrane proteins based on support vector machines and mixed integer linear programming. Proteins. PMID 26756402 DOI: 10.1002/prot.24979  1
2016 Guzman YA, Matthews LR, Floudas CA. New a priori and a posteriori probabilistic bounds for robust counterpart optimization: I. Unknown probability distributions Computers and Chemical Engineering. 84: 568-598. DOI: 10.1016/j.compchemeng.2015.09.014  1
2016 Li J, Xiao X, Floudas CA. Integrated gasoline blending and order delivery operations: Part I. short-term scheduling and global optimization for single and multi-period operations Aiche Journal. DOI: 10.1002/aic.15168  1
2016 Floudas CA, Niziolek AM, Onel O, Matthews LR. Multi-scale systems engineering for energy and the environment: Challenges and opportunities Aiche Journal. 62: 602-623. DOI: 10.1002/aic.15151  1
2015 Gorham RD, Forest DL, Khoury GA, Smadbeck J, Beecher CN, Healy ED, Tamamis P, Archontis G, Larive CK, Floudas CA, Radeke MJ, Johnson LV, Morikis D. New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics. Journal of Medicinal Chemistry. 58: 814-26. PMID 25494040 DOI: 10.1021/jm501345y  1
2015 Tang QH, He M, He XX, Zhang LP, Floudas CA. Robust optimization scheduling of flexible job shops under stochastic processing times Jisuanji Jicheng Zhizao Xitong/Computer Integrated Manufacturing Systems, Cims. 21: 1002-1012. DOI: 10.13196/j.cims.2015.04.015  1
2015 Misener R, Smadbeck JB, Floudas CA. Dynamically generated cutting planes for mixed-integer quadratically constrained quadratic programs and their incorporation into GloMIQO 2 Optimization Methods and Software. 30: 215-249. DOI: 10.1080/10556788.2014.916287  1
2015 Onel O, Niziolek AM, Elia JA, Baliban RC, Floudas CA. Biomass and natural gas to liquid transportation fuels and olefins (BGTL+C2-C4): Process synthesis and global optimization Industrial and Engineering Chemistry Research. 54: 359-385. DOI: 10.1021/ie503979b  1
2015 Li Z, Floudas CA. Optimal scenario reduction framework based on distance of uncertainty distribution and output performance: II. Sequential reduction Computers and Chemical Engineering. DOI: 10.1016/j.compchemeng.2015.05.010  1
2015 Hasan MMF, First EL, Boukouvala F, Floudas CA. A multi-scale framework for CO2 capture, utilization, and sequestration: CCUS and CCU Computers and Chemical Engineering. DOI: 10.1016/j.compchemeng.2015.04.034  1
2015 Niziolek AM, Onel O, Hasan MMF, Floudas CA. Municipal solid waste to liquid transportation fuels - Part II: Process synthesis and global optimization strategies Computers and Chemical Engineering. 74: 184-203. DOI: 10.1016/j.compchemeng.2014.10.007  1
2015 Floudas CA, Pistikopoulos EN. Professor Ignacio E. Grossmann-Tribute Computers and Chemical Engineering. 72: 1-2. DOI: 10.1016/j.compchemeng.2014.09.001  1
2015 Elia JA, Li J, Floudas CA. Strategic planning optimization for natural gas to liquid transportation fuel (GTL) systems Computers and Chemical Engineering. 72: 109-125. DOI: 10.1016/j.compchemeng.2014.04.010  1
2015 Onel O, Niziolek AM, Floudas CA. Integrated biomass and fossil fuel systems towards the production of fuels and chemicals: State of the art approaches and future challenges Current Opinion in Chemical Engineering. 9: 66-74. DOI: 10.1016/j.coche.2015.08.005  1
2015 Onel O, Niziolek AM, Floudas CA. Natural Gas to Liquid Transportation Fuels and Olefins (GTL+C2_C4) Computer Aided Chemical Engineering. 37: 1229-1234. DOI: 10.1016/B978-0-444-63577-8.50050-4  1
2015 Liu T, First EL, Hasan MMF, Floudas CA. Discovery of New Zeolites for H2S Removal through Multi-scale Systems Engineering Computer Aided Chemical Engineering. 37: 1025-1030. DOI: 10.1016/B978-0-444-63577-8.50016-4  1
2015 Boukouvala F, Hasan MMF, Floudas CA. Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption Journal of Global Optimization. DOI: 10.1007/s10898-015-0376-2  1
2015 Tang Q, Liang Y, Zhang L, Floudas CA, Cao X. Balancing mixed-model assembly lines with sequence-dependent tasks via hybrid genetic algorithm Journal of Global Optimization. DOI: 10.1007/s10898-015-0316-1  1
2015 Niziolek AM, Onel O, Elia JA, Baliban RC, Floudas CA. Coproduction of liquid transportation fuels and C6_C8 aromatics from biomass and natural gas Aiche Journal. 61: 831-856. DOI: 10.1002/aic.14726  1
2015 Zhang Z, Qi P, He H, Xiao X, Cao H, Li J, Ma J, Floudas CA, Li Q. Analysis of ash properties of duckweed biomass Taiyangneng Xuebao/Acta Energiae Solaris Sinica. 36: 1048-1052.  1
2015 Esposito WR, Floudas CA. Deterministic global optimization in isothermal reactor network synthesis Journal of Global Optimization. 22: 59-95.  1
2014 Li Z, Floudas CA. A Comparative Theoretical and Computational Study on Robust Counterpart Optimization: III. Improving the Quality of Robust Solutions. Industrial & Engineering Chemistry Research. 53: 13112-13124. PMID 25678740 DOI: 10.1021/ie501898n  1
2014 Halai R, Bellows-Peterson ML, Branchett W, Smadbeck J, Kieslich CA, Croker DE, Cooper MA, Morikis D, Woodruff TM, Floudas CA, Monk PN. Derivation of ligands for the complement C3a receptor from the C-terminus of C5a. European Journal of Pharmacology. 745: 176-81. PMID 25446428 DOI: 10.1016/j.ejphar.2014.10.041  1
2014 Smadbeck J, Chan KH, Khoury GA, Xue B, Robinson RC, Hauser CA, Floudas CA. De novo design and experimental characterization of ultrashort self-associating peptides. Plos Computational Biology. 10: e1003718. PMID 25010703 DOI: 10.1371/journal.pcbi.1003718  1
2014 Tamamis P, Floudas CA. Elucidating a key anti-HIV-1 and cancer-associated axis: the structure of CCL5 (Rantes) in complex with CCR5. Scientific Reports. 4: 5447. PMID 24965094 DOI: 10.1038/srep05447  0.44
2014 Tamamis P, Floudas CA. Molecular recognition of CCR5 by an HIV-1 gp120 V3 loop. Plos One. 9: e95767. PMID 24763408 DOI: 10.1371/journal.pone.0095767  1
2014 Smadbeck J, Peterson MB, Zee BM, Garapaty S, Mago A, Lee C, Giannis A, Trojer P, Garcia BA, Floudas CA. De novo peptide design and experimental validation of histone methyltransferase inhibitors. Plos One. 9: e95535. PMID 24740276 DOI: 10.1371/journal.pone.0095535  0.64
2014 Khoury GA, Liwo A, Khatib F, Zhou H, Chopra G, Bacardit J, Bortot LO, Faccioli RA, Deng X, He Y, Krupa P, Li J, Mozolewska MA, Sieradzan AK, Smadbeck J, ... ... Floudas CA, et al. WeFold: a coopetition for protein structure prediction. Proteins. 82: 1850-68. PMID 24677212 DOI: 10.1002/prot.24538  1
2014 Tamamis P, Floudas CA. Elucidating a key component of cancer metastasis: CXCL12 (SDF-1α) binding to CXCR4. Journal of Chemical Information and Modeling. 54: 1174-88. PMID 24660779 DOI: 10.1021/ci500069y  1
2014 Elia JA, Floudas CA. Energy supply chain optimization of hybrid feedstock processes: a review. Annual Review of Chemical and Biomolecular Engineering. 5: 147-79. PMID 24635766 DOI: 10.1146/annurev-chembioeng-060713-040425  1
2014 Smadbeck J, Peterson MB, Zee BM, Garapaty S, Mago A, Lee C, Giannis A, Trojer P, Garcia BA, Floudas CA. De novo peptide design and experimental validation of histone methyltransferase inhibitors. Plos One. 9: e90095. PMID 24587223 DOI: 10.1371/journal.pone.0090095  1
2014 Guzman YA, Sakellari D, Arsenakis M, Floudas CA. Proteomics for the discovery of biomarkers and diagnosis of periodontitis: a critical review. Expert Review of Proteomics. 11: 31-41. PMID 24308552 DOI: 10.1586/14789450.2014.864953  1
2014 Khoury GA, Smadbeck J, Kieslich CA, Floudas CA. Protein folding and de novo protein design for biotechnological applications. Trends in Biotechnology. 32: 99-109. PMID 24268901 DOI: 10.1016/j.tibtech.2013.10.008  1
2014 Khoury GA, Tamamis P, Pinnaduwage N, Smadbeck J, Kieslich CA, Floudas CA. Princeton_TIGRESS: protein geometry refinement using simulations and support vector machines. Proteins. 82: 794-814. PMID 24174311 DOI: 10.1002/prot.24459  1
2014 Niziolek AM, Onel O, Elia JA, Baliban RC, Xiao X, Floudas CA. Coal and biomass to liquid transportation fuels: Process synthesis and global optimization strategies Industrial and Engineering Chemistry Research. 53: 17002-17025. DOI: 10.1021/ie500505h  1
2014 Hasan MMF, Boukouvala F, First EL, Floudas CA. Nationwide, regional, and statewide CO2 Capture, Utilization, and Sequestration supply chain network optimization Industrial and Engineering Chemistry Research. 53: 7489-7506. DOI: 10.1021/ie402931c  1
2014 Elia JA, Baliban RC, Floudas CA. Nationwide, regional, and statewide energy supply chain optimization for natural gas to liquid transportation fuel (GTL) systems Industrial and Engineering Chemistry Research. 53: 5366-5397. DOI: 10.1021/ie401378r  1
2014 Boukouvala F, Misener R, Floudas CA. Global optimization advances in Mixed-Integer Nonlinear Programming, MINLP, and Constrained Derivative-Free Optimization, CDFO European Journal of Operational Research. DOI: 10.1016/j.ejor.2015.12.018  1
2014 Khoury GA, Bhatia N, Floudas CA. Hydration free energies calculated using the AMBER ff03 charge model for natural and unnatural amino acids and multiple water models Computers and Chemical Engineering. 71: 745-752. DOI: 10.1016/j.compchemeng.2014.07.017  1
2014 Li Z, Floudas CA. Optimal scenario reduction framework based on distance of uncertainty distribution and output performance: I. Single reduction via mixed integer linear optimization Computers and Chemical Engineering. 70: 50-66. DOI: 10.1016/j.compchemeng.2014.03.019  1
2014 Onel O, Niziolek AM, Hasan FMF, Floudas CA. Municipal solid waste to liquid transportation fuels - Part I: Mathematical modeling of a municipal solid waste gasifier Computers and Chemical Engineering. 71: 636-647. DOI: 10.1016/j.compchemeng.2014.03.008  1
2014 Ye Y, Li J, Li Z, Tang Q, Xiao X, Floudas CA. Robust optimization and stochastic programming approaches for medium-term production scheduling of a large-scale steelmaking continuous casting process under demand uncertainty Computers and Chemical Engineering. 66: 165-185. DOI: 10.1016/j.compchemeng.2014.02.028  1
2014 Niziolek AM, Onel O, Elia JA, Floudas CA, Xiao X. Production of liquid transportation fuels from coal and duckweed biomass Computer Aided Chemical Engineering. 34: 573-578. DOI: 10.1016/B978-0-444-63433-7.50080-8  1
2014 First EL, Hasan MMF, Floudas CA. Multi-scale material screening and process optimization for natural gas purification Computer Aided Chemical Engineering. 34: 513-518. DOI: 10.1016/B978-0-444-63433-7.50070-5  1
2014 Faruque Hasan MM, First EL, Boukouvala F, Floudas CA. A novel framework for carbon capture, utilization, and sequestration, CCUS Computer Aided Chemical Engineering. 34: 98-107. DOI: 10.1016/B978-0-444-63433-7.50011-0  1
2014 Guzman YA, Hasan MMF, Floudas CA. Performance of convex underestimators in a branch-and-bound framework Optimization Letters. DOI: 10.1007/s11590-014-0799-6  1
2014 Misener R, Floudas CA. A Framework for Globally Optimizing Mixed-Integer Signomial Programs Journal of Optimization Theory and Applications. 161: 905-932. DOI: 10.1007/s10957-013-0396-3  1
2014 Misener R, Floudas CA. ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations Journal of Global Optimization. 59: 503-526. DOI: 10.1007/s10898-014-0166-2  1
2014 Guzman YA, Hasan MMF, Floudas CA. Computational comparison of convex underestimators for use in a branch-And-bound global optimization framework Optimization in Science and Engineering: in Honor of the 60th Birthday of Panos M. Pardalos. 229-246. DOI: 10.1007/978-1-4939-0808-0_11  1
2014 Rassias TM, Floudas CA, Butenko S. Preface Optimization in Science and Engineering: in Honor of the 60th Birthday of Panos M. Pardalos. vii-ix. DOI: 10.1007/978-1-4939-0808-0  0.8
2014 First EL, Hasan MMF, Floudas CA. Discovery of novel zeolites for natural gas purification through combined material screening and process optimization Aiche Journal. 60: 1767-1785. DOI: 10.1002/aic.14441  1
2014 Tang Q, Li Z, Zhang L, Floudas CA. A hybrid particle swarm optimization algorithm for large-sized two-sided assembly line balancing problem Icic Express Letters. 8: 1981-1986.  1
2014 Floudas CA, First EL, Hasan MMF. Multiscale systems engineering for the discovery of cost-effective zeolites for natural gas and biogas purification Separations Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 1: 173-174.  0.8
2013 Khoury GA, Thompson JP, Smadbeck J, Kieslich CA, Floudas CA. Forcefield_PTM: Ab Initio Charge and AMBER Forcefield Parameters for Frequently Occurring Post-Translational Modifications. Journal of Chemical Theory and Computation. 9: 5653-5674. PMID 24489522 DOI: 10.1021/ct400556v  1
2013 Gounaris CE, First EL, Floudas CA. Estimation of diffusion anisotropy in microporous crystalline materials and optimization of crystal orientation in membranes. The Journal of Chemical Physics. 139: 124703. PMID 24089791 DOI: 10.1063/1.4821583  1
2013 Tamamis P, Floudas CA. Molecular recognition of CXCR4 by a dual tropic HIV-1 gp120 V3 loop. Biophysical Journal. 105: 1502-14. PMID 24048002 DOI: 10.1016/j.bpj.2013.07.049  1
2013 Hasan MM, First EL, Floudas CA. Cost-effective CO2 capture based on in silico screening of zeolites and process optimization. Physical Chemistry Chemical Physics : Pccp. 15: 17601-18. PMID 24037279 DOI: 10.1039/c3cp53627k  1
2013 Gorham RD, Forest DL, Tamamis P, López de Victoria A, Kraszni M, Kieslich CA, Banna CD, Bellows-Peterson ML, Larive CK, Floudas CA, Archontis G, Johnson LV, Morikis D. Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures. Experimental Eye Research. 116: 96-108. PMID 23954241 DOI: 10.1016/j.exer.2013.07.023  1
2013 Smadbeck J, Peterson MB, Khoury GA, Taylor MS, Floudas CA. Protein WISDOM: a workbench for in silico de novo design of biomolecules. Journal of Visualized Experiments : Jove. PMID 23912941 DOI: 10.3791/50476  1
2013 First EL, Gounaris CE, Floudas CA. Predictive framework for shape-selective separations in three-dimensional zeolites and metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 5599-608. PMID 23617929 DOI: 10.1021/la400547a  1
2013 Baliban RC, Sakellari D, Li Z, Guzman YA, Garcia BA, Floudas CA. Discovery of biomarker combinations that predict periodontal health or disease with high accuracy from GCF samples based on high-throughput proteomic analysis and mixed-integer linear optimization. Journal of Clinical Periodontology. 40: 131-9. PMID 23190455 DOI: 10.1111/jcpe.12037  1
2013 Chen L, Tang QH, Chen WM, Floudas CA, Li M. Production scheduling of steelmaking-continuous casting integrated hybridizing constraint satisfaction and genetic optimization Jisuanji Jicheng Zhizao Xitong/Computer Integrated Manufacturing Systems, Cims. 19: 2834-2846. DOI: 10.13196/j.cims.2013.11.chenli.2834.13.20131121  1
2013 Gounaris CE, Wiesemann W, Floudas CA. The robust capacitated vehicle routing problem under demand uncertainty Operations Research. 61: 677-693. DOI: 10.1287/opre.1120.1136  1
2013 Baliban RC, Elia JA, Floudas CA. Biomass to liquid transportation fuels (BTL) systems: Process synthesis and global optimization framework Energy and Environmental Science. 6: 267-287. DOI: 10.1039/c2ee23369j  1
2013 Baliban RC, Elia JA, Floudas CA, Xiao X, Zhang Z, Li J, Cao H, Ma J, Qiao Y, Hu X. Thermochemical conversion of duckweed biomass to gasoline, diesel, and jet fuel: Process synthesis and global optimization Industrial and Engineering Chemistry Research. 52: 11436-11450. DOI: 10.1021/ie3034703  1
2013 Baliban RC, Elia JA, Floudas CA. Biomass and natural gas to liquid transportation fuels: Process synthesis, global optimization, and topology analysis Industrial and Engineering Chemistry Research. 52: 3381-3406. DOI: 10.1021/ie3024643  1
2013 Elia JA, Baliban RC, Floudas CA, Gurau B, Weingarten MB, Klotz SD. Hardwood biomass to gasoline, diesel, and jet fuel: 2. Supply chain optimization framework for a network of thermochemical refineries Energy and Fuels. 27: 4325-4352. DOI: 10.1021/ef400430x  1
2013 Baliban RC, Elia JA, Floudas CA, Gurau B, Weingarten MB, Klotz SD. Hardwood biomass to gasoline, diesel, and jet fuel: 1. Process synthesis and global optimization of a thermochemical refinery Energy and Fuels. 27: 4302-4324. DOI: 10.1021/ef302003f  1
2013 First EL, Floudas CA. MOFomics: Computational pore characterization of metal-organic frameworks Microporous and Mesoporous Materials. 165: 32-39. DOI: 10.1016/j.micromeso.2012.07.049  1
2013 Ye Y, Li J, Li Z, Tang Q, Xiao X, Floudas CA. Medium-term production scheduling of a large-scale steelmaking continuous casting process under demand uncertainty Computer Aided Chemical Engineering. 32: 571-576. DOI: 10.1016/B978-0-444-63234-0.50096-8  1
2013 Misener R, Floudas CA. GloMIQO: Global mixed-integer quadratic optimizer Journal of Global Optimization. 57: 3-50. DOI: 10.1007/s10898-012-9874-7  1
2013 Saharidis GKD, Ierapetritou M, Floudas CA. Editorial Annals of Operations Research. 210: 1-4. DOI: 10.1007/s10479-013-1490-5  1
2013 Baliban RC, Elia JA, Floudas CA. Novel Natural Gas to Liquids Processes: Process Synthesis and Global Optimization Strategies Aiche Journal. 59: 505-531. DOI: 10.1002/aic.13996  1
2013 Tan MP, Floudas CA. A novel clustering approach: Global optimum search with enhanced positioning Clustering Challenges in Biological Networks. 307-332.  1
2013 Kieslich CA, Smadbeck J, Khoury GA, Floudas CA. Novel framework for beta-sheet topology prediction using low-homology template-based constraints Food, Pharmaceutical and Bioengineering Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 351-352.  0.6
2013 Khoury GA, Tamamis P, Pinnaduwage N, Smadbeck J, Kieslich CA, Floudas CA. A novel protein structure refinement method: Blind predictions during CASP10, and an optimized protocol to maximize performance Food, Pharmaceutical and Bioengineering Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 424-425.  0.6
2013 Khoury GA, Tamamis P, Smadbeck J, Szekely Z, Sinko PJ, Floudas CA. Understanding the antagonistic mechanism of a de novo designed peptide with experimental HIV fusion inhibition via molecular simulation Food, Pharmaceutical and Bioengineering Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 45-46.  0.6
2013 Hasan MMF, Boukouvala F, Floudas CA. Optimization of CO2 capture, utilization and sequestration (CCUS) supply chain networks Co2 Capture 2013 - Topical Conference At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 113-114.  1
2013 Smadbeck J, Kieslich CA, Khoury GA, Floudas CA. Novel biclustering framework for tertiary contact prediction using low-homology protein templates Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 2: 616-617.  1
2013 Khoury GA, Liwo A, Khatib F, Zhou H, Chopra G, Bacardit J, Bortot LO, Faccioli RA, Deng X, He Y, Krupa P, Li J, Mozolewska M, Sieradzan A, Smadbeck J, ... ... Floudas CA, et al. Wefold: A collaborative protein structure prediction experiment Computational Molecular Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 182-184.  1
2013 First EL, Hasan MMF, Floudas CA. CO2 removal from natural gas: Combined materials screening and process optimization Separations Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 407-408.  1
2013 Smadbeck J, Khoury GA, Chan KH, Hauser CAE, Floudas CA. Biomaterial properties of aggregating tripeptides designed using a de novo multimeric protein design framework Food, Pharmaceutical and Bioengineering Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 755-756.  0.6
2013 Elia JA, Li J, Floudas CA. Strategic long-term energy planning for natural gas to liquid fuels (GTL) supply chain systems Sustainable Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 543-544.  1
2013 Guzman YA, Riley CP, Floudas CA. Robust in silico disease classification via disease- And procedure-independent optimization models using quantitative MS1 data from high-throughput proteomics Food, Pharmaceutical and Bioengineering Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 579-580.  1
2012 Li Z, Floudas CA. A Comparative Theoretical and Computational Study on Robust Counterpart Optimization: II. Probabilistic Guarantees on Constraint Satisfaction. Industrial & Engineering Chemistry Research. 51: 6769-6788. PMID 23329868 DOI: 10.1021/ie201651s  1
2012 Subramani A, Wei Y, Floudas CA. ASTRO-FOLD 2.0: an Enhanced Framework for Protein Structure Prediction. Aiche Journal. American Institute of Chemical Engineers. 58: 1619-1637. PMID 23049093 DOI: 10.1002/aic.12669  1
2012 Baliban RC, Dimaggio PA, Plazas-Mayorca MD, Garcia BA, Floudas CA. PILOT_PROTEIN: identification of unmodified and modified proteins via high-resolution mass spectrometry and mixed-integer linear optimization. Journal of Proteome Research. 11: 4615-29. PMID 22788846 DOI: 10.1021/pr300418j  1
2012 Bellows-Peterson ML, Fung HK, Floudas CA, Kieslich CA, Zhang L, Morikis D, Wareham KJ, Monk PN, Hawksworth OA, Woodruff TM. De novo peptide design with C3a receptor agonist and antagonist activities: theoretical predictions and experimental validation. Journal of Medicinal Chemistry. 55: 4159-68. PMID 22500977 DOI: 10.1021/jm201609k  1
2012 Subramani A, Floudas CA. β-sheet topology prediction with high precision and recall for β and mixed α/β proteins. Plos One. 7: e32461. PMID 22427840 DOI: 10.1371/journal.pone.0032461  1
2012 Subramani A, Floudas CA. Structure prediction of loops with fixed and flexible stems. The Journal of Physical Chemistry. B. 116: 6670-82. PMID 22352982 DOI: 10.1021/jp2113957  1
2012 Tamamis P, López de Victoria A, Gorham RD, Bellows-Peterson ML, Pierou P, Floudas CA, Morikis D, Archontis G. Molecular dynamics in drug design: new generations of compstatin analogs. Chemical Biology & Drug Design. 79: 703-18. PMID 22233517 DOI: 10.1111/j.1747-0285.2012.01324.x  1
2012 First EL, Gounaris CE, Floudas CA. Stereochemically consistent reaction mapping and identification of multiple reaction mechanisms through integer linear optimization. Journal of Chemical Information and Modeling. 52: 84-92. PMID 22098204 DOI: 10.1021/ci200351b  1
2012 Baliban RC, Sakellari D, Li Z, DiMaggio PA, Garcia BA, Floudas CA. Novel protein identification methods for biomarker discovery via a proteomic analysis of periodontally healthy and diseased gingival crevicular fluid samples. Journal of Clinical Periodontology. 39: 203-12. PMID 22092770 DOI: 10.1111/j.1600-051X.2011.01805.x  1
2012 Wei Y, Thompson J, Floudas CA. CONCORD: A consensus method for protein secondary structure prediction via mixed integer linear optimization Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 468: 831-850. DOI: 10.1098/rspa.2011.0514  1
2012 Hasan MMF, Baliban RC, Elia JA, Floudas CA. Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate. 2. Pressure swing adsorption and vacuum swing adsorption processes Industrial and Engineering Chemistry Research. 51: 15665-15682. DOI: 10.1021/ie301572n  1
2012 Hasan MMF, Baliban RC, Elia JA, Floudas CA. Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate. 1. Chemical absorption and membrane processes Industrial and Engineering Chemistry Research. 51: 15642-15664. DOI: 10.1021/ie301571d  1
2012 Li J, Verderame PM, Floudas CA. Operational planning of large-scale continuous processes: Deterministic planning model and robust optimization for demand amount and due date uncertainty Industrial and Engineering Chemistry Research. 51: 4347-4362. DOI: 10.1021/ie202670a  1
2012 Li J, Xiao X, Tang Q, Floudas CA. Production scheduling of a large-scale steelmaking continuous casting process via unit-specific event-based continuous-time models: Short-term and medium-term scheduling Industrial and Engineering Chemistry Research. 51: 7300-7319. DOI: 10.1021/ie2015944  1
2012 Baliban RC, Elia JA, Weekman V, Floudas CA. Process synthesis of hybrid coal, biomass, and natural gas to liquids via Fischer-Tropsch synthesis, ZSM-5 catalytic conversion, methanol synthesis, methanol-to-gasoline, and methanol-to-olefins/distillate technologies Computers and Chemical Engineering. 47: 29-56. DOI: 10.1016/j.compchemeng.2012.06.032  1
2012 Baliban RC, Elia JA, Misener R, Floudas CA. Global optimization of a MINLP process synthesis model for thermochemical based conversion of hybrid coal, biomass, and natural gas to liquid fuels Computers and Chemical Engineering. 42: 64-86. DOI: 10.1016/j.compchemeng.2012.03.008  1
2012 Floudas CA, Elia JA, Baliban RC. Hybrid and single feedstock energy processes for liquid transportation fuels: A critical review Computers and Chemical Engineering. 41: 24-51. DOI: 10.1016/j.compchemeng.2012.02.008  1
2012 Baliban RC, Elia JA, Floudas CA. Simultaneous process synthesis, heat, power, and water integration of thermochemical hybrid biomass, coal, and natural gas facilities Computers and Chemical Engineering. 37: 297-327. DOI: 10.1016/j.compchemeng.2011.10.002  1
2012 Skjäl A, Misener R, Westerlund T, Floudas CA. A generalization of classical αBB underestimation to include bilinear terms Computer Aided Chemical Engineering. 30: 1202-1206. DOI: 10.1016/B978-0-444-59520-1.50099-3  1
2012 Li J, Xiao X, Floudas CA. An Efficient Unit-Specific Event-Based Continuous-Time MILP Formulation for Short-Term Scheduling of Multistage and Multiproduct Batch Plants Computer Aided Chemical Engineering. 30: 772-776. DOI: 10.1016/B978-0-444-59520-1.50013-0  1
2012 Tang Q, Li J, Floudas CA, Deng M, Yan Y, Xi Z, Chen P, Kong J. Optimization framework for process scheduling of operation-dependent automobile assembly lines Optimization Letters. 6: 797-824. DOI: 10.1007/s11590-011-0303-5  1
2012 Skjäl A, Westerlund T, Misener R, Floudas CA. A Generalization of the Classical αBB Convex Underestimation via Diagonal and Nondiagonal Quadratic Terms Journal of Optimization Theory and Applications. 154: 462-490. DOI: 10.1007/s10957-012-0033-6  1
2012 Misener R, Floudas CA. Global optimization of mixed-integer quadratically-constrained quadratic programs (MIQCQP) through piecewise-linear and edge-concave relaxations Mathematical Programming. 136: 155-182. DOI: 10.1007/s10107-012-0555-6  1
2012 DiMaggio PA, Subramani A, Floudas CA. Novel biclustering methods for re-ordering data matrices Fields Institute Communications. 63: 1-39. DOI: 10.1007/978-1-4614-4133-5_1  1
2012 Elia JA, Baliban RC, Floudas CA. Nationwide energy supply chain analysis for hybrid feedstock processes with significant CO 2 emissions reduction Aiche Journal. 58: 2142-2154. DOI: 10.1002/aic.13842  1
2012 Li J, Misener R, Floudas CA. Scheduling of crude oil operations under demand uncertainty: A robust optimization framework coupled with global optimization Aiche Journal. 58: 2373-2396. DOI: 10.1002/aic.12772  1
2012 Li J, Misener R, Floudas CA. Continuous-time modeling and global optimization approach for scheduling of crude oil operations Aiche Journal. 58: 205-226. DOI: 10.1002/aic.12623  1
2012 Misener R, Floudas CA. Global optimization of mixed-integer models with quadratic and signomial functions: A review Applied and Computational Mathematics. 11: 317-336.  1
2012 Elia JA, Baliban RC, Floudas CA. Optimization-based process synthesis framework for thermochemical conversion of natural gas to liquid transportation fuels (GTL) systems Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Floudas CA, Misener R. Globally optimizing mixed-integer quadratically-constrained quadratic programs: Advances in Glomiqo Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Baliban RC, Elia JA, Floudas CA. Process synthesis and global optimization of biomass to liquid transportation fuels (BTL) systems Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Baliban RC, Elia JA, Weekman VW, Floudas CA. Process synthesis of hybrid coal, biomass, and natural gas to liquids (CBGTL) via Fischer-Tropsch synthesis, ZSM-5 catalytic conversion, methanol synthesis, methanol-to-gasoline, and methanol-to-olefins/distillate technologies Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Baliban RC, Elia JA, Floudas CA. Biomass and natural gas to liquid transportation fuels (BGTL): Process synthesis, global optimization, and topology analysis Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Elia JA, Baliban RC, Floudas CA. Incorporating water resources, electricity supply, and allocation of sequestered CO2 in the nationwide hybrid energy supply chain Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 Faruque Hasan MM, Baliban RC, Elia JA, Floudas CA. Modeling, simulation and optimization of absorption, membrane and adsorption-based CO2 capture for variable feed CO2 concentration and feed flow Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2012 First EL, Gounaris CE, Wei J, Floudas CA. Computational characterization of MOF pores and determination of molecular selectivity Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 1
2011 Khoury GA, Baliban RC, Floudas CA. Proteome-wide post-translational modification statistics: frequency analysis and curation of the swiss-prot database. Scientific Reports. 1. PMID 22034591 DOI: 10.1038/srep00090  1
2011 Tamamis P, Pierou P, Mytidou C, Floudas CA, Morikis D, Archontis G. Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: the case of C3 inhibition by compstatin. Proteins. 79: 3166-79. PMID 21989937 DOI: 10.1002/prot.23149  1
2011 Torrente MP, Zee BM, Young NL, Baliban RC, LeRoy G, Floudas CA, Hake SB, Garcia BA. Proteomic interrogation of human chromatin. Plos One. 6: e24747. PMID 21935452 DOI: 10.1371/journal.pone.0024747  1
2011 Li Z, Ding R, Floudas CA. A Comparative Theoretical and Computational Study on Robust Counterpart Optimization: I. Robust Linear Optimization and Robust Mixed Integer Linear Optimization. Industrial & Engineering Chemistry Research. 50: 10567-10603. PMID 21935263 DOI: 10.1021/ie200150p  1
2011 Wei Y, Floudas CA. Enhanced Inter-helical Residue Contact Prediction in Transmembrane Proteins. Chemical Engineering Science. 66: 4356-4369. PMID 21892227 DOI: 10.1016/j.ces.2011.04.033  1
2011 First EL, Gounaris CE, Wei J, Floudas CA. Computational characterization of zeolite porous networks: an automated approach. Physical Chemistry Chemical Physics : Pccp. 13: 17339-58. PMID 21881655 DOI: 10.1039/c1cp21731c  1
2011 López de Victoria A, Gorham RD, Bellows-Peterson ML, Ling J, Lo DD, Floudas CA, Morikis D. A new generation of potent complement inhibitors of the Compstatin family. Chemical Biology & Drug Design. 77: 431-40. PMID 21352502 DOI: 10.1111/j.1747-0285.2011.01111.x  1
2011 Pan SJ, Cheung WL, Fung HK, Floudas CA, Link AJ. Computational design of the lasso peptide antibiotic microcin J25. Protein Engineering, Design & Selection : Peds. 24: 275-82. PMID 21106549 DOI: 10.1093/protein/gzq108  1
2011 Tang Q, Lu S, Li M, Floudas CA. Novel cellular automata algorithm for assembly line balancing problem of type-2 Proceedings - 2011 6th International Conference On Pervasive Computing and Applications, Icpca 2011. 422-428. DOI: 10.1109/ICPCA.2011.6106542  1
2011 Verderame PM, Floudas CA. Multisite planning under demand and transportation time uncertainty: Robust optimization and conditional value-at-risk frameworks Industrial and Engineering Chemistry Research. 50: 4959-4982. DOI: 10.1021/ie101401k  1
2011 Baliban RC, Elia JA, Floudas CA. Optimization framework for the simultaneous process synthesis, heat and power integration of a thermochemical hybrid biomass, coal, and natural gas facility Computers and Chemical Engineering. 35: 1647-1690. DOI: 10.1016/j.compchemeng.2011.01.041  1
2011 Misener R, Thompson JP, Floudas CA. Apogee: Global optimization of standard, generalized, and extended pooling problems via linear and logarithmic partitioning schemes Computers and Chemical Engineering. 35: 876-892. DOI: 10.1016/j.compchemeng.2011.01.026  1
2011 Elia JA, Baliban RC, Xiao X, Floudas CA. Optimal energy supply network determination and life cycle analysis for hybrid coal, biomass, and natural gas to liquid (CBGTL) plants using carbon-based hydrogen production Computers and Chemical Engineering. 35: 1399-1430. DOI: 10.1016/j.compchemeng.2011.01.019  1
2011 Baliban RC, Elia JA, Floudas CA. Process Synthesis with Heat and Power Integration of Thermochemical Coal, Biomass, and Natural Gas Hybrid Energy Processes Computer Aided Chemical Engineering. 29: 1718-1722. DOI: 10.1016/B978-0-444-54298-4.50122-7  1
2011 Gounaris CE, Repoussis PP, Tarantilis CD, Floudas CA. A Hybrid Branch-and-Cut Approach for the Capacitated Vehicle Routing Problem Computer Aided Chemical Engineering. 29: 507-511. DOI: 10.1016/B978-0-444-53711-9.50102-4  1
2011 Gounaris CE, Rajendran K, Kevrekidis IG, Floudas CA. Generation of networks with prescribed degree-dependent clustering Optimization Letters. 5: 435-451. DOI: 10.1007/s11590-011-0319-x  1
2011 Bellows ML, Fung HK, Floudas CA. Recent Advances in De Novo Protein Design Process Systems Engineering. 6: 207-232. DOI: 10.1002/9783527631315.ch7  1
2011 Shaik MA, Floudas CA. Short-Term Scheduling of Batch and Continuous Processes Process Systems Engineering. 4: 173-217. DOI: 10.1002/9783527631278.ch6  1
2011 Elia JA, Baliban RC, Floudas CA. Nationwide energy supply chain analysis for transportation fuels 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 First EL, Gounaris CE, Wei J, Floudas CA. Optimization of reaction networks in zeolites 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Baliban R, Elia JA, Floudas CA. Optimization framework for the process synthesis and simultaneous heat and power integration of a thermochemical coal, biomass, and natural gas to liquids facility 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Li J, Misener R, Floudas CA. Scheduling of crude oil operations under uncertainty: A robust optimization framework coupled with global optimization 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Baliban R, Elia JA, Misener R, Floudas CA. Global optimization of thermochemical-based coal, biomass, and natural gas to liquids processes via lograthmic partioning schemes 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Floudas CA, Baliban RC, Elia JA. Design, simulation, and supply chain optimization of hybrid coal, biomass, and natural gas to liquid (CBGTL) processes Acs National Meeting Book of Abstracts 1
2010 Bellows ML, Taylor MS, Cole PA, Shen L, Siliciano RF, Fung HK, Floudas CA. Discovery of entry inhibitors for HIV-1 via a new de novo protein design framework. Biophysical Journal. 99: 3445-53. PMID 21081094 DOI: 10.1016/j.bpj.2010.09.050  1
2010 DiMaggio 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 reordering and logistic regression. Toxicological Sciences : An Official Journal of the Society of Toxicology. 118: 251-65. PMID 20702588 DOI: 10.1093/toxsci/kfq233  1
2010 Tamamis P, Morikis D, Floudas CA, Archontis G. Species specificity of the complement inhibitor compstatin investigated by all-atom molecular dynamics simulations. Proteins. 78: 2655-67. PMID 20589629 DOI: 10.1002/prot.22780  1
2010 Bellows ML, Fung HK, Taylor MS, Floudas CA, López de Victoria A, Morikis D. New compstatin variants through two de novo protein design frameworks. Biophysical Journal. 98: 2337-46. PMID 20483343 DOI: 10.1016/j.bpj.2010.01.057  1
2010 McAllister SR, Floudas CA. An improved hybrid global optimization method for protein tertiary structure prediction. Computational Optimization and Applications. 45: 377-413. PMID 20357906 DOI: 10.1007/s10589-009-9277-y  1
2010 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. 78: 1825-46. PMID 20225257 DOI: 10.1002/prot.22696  1
2010 Bellows ML, Floudas CA. Computational methods for de novo protein design and its applications to the human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases. Current Drug Targets. 11: 264-78. PMID 20210752 DOI: 10.2174/138945010790711914  1
2010 Young NL, Plazas-Mayorca MD, DiMaggio PA, Flaniken IZ, Beltran AJ, Mishra N, LeRoy G, Floudas CA, Garcia BA. Collective mass spectrometry approaches reveal broad and combinatorial modification of high mobility group protein A1a. Journal of the American Society For Mass Spectrometry. 21: 960-70. PMID 20202861 DOI: 10.1016/j.jasms.2010.01.020  1
2010 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 & Cellular Proteomics : McP. 9: 764-79. PMID 20103568 DOI: 10.1074/mcp.M900487-MCP200  1
2010 Rigoutsos I, Floudas CA, Kim J, Weinstein H. 10th IEEE International Conference on Bioinformatics and Bioengineering 2010, BIBE 2010: Message from the general chairs 10th Ieee International Conference On Bioinformatics and Bioengineering 2010, Bibe 2010. xi-xii. DOI: 10.1109/BIBE.2010.5  1
2010 Verderame PM, Elia JA, Li J, Floudas CA. Planning and scheduling under uncertainty: A review across multiple sectors Industrial and Engineering Chemistry Research. 49: 3993-4017. DOI: 10.1021/ie902009k  1
2010 Verderame PM, Floudas CA. Integration of operational planning and medium-term scheduling for large-scale industrial batch plants under demand and processing time uncertainty Industrial and Engineering Chemistry Research. 49: 4948-4965. DOI: 10.1021/ie901973e  1
2010 Li J, Floudas CA. Optimal event point determination for short-term scheduling of multipurpose batch plants via unit-specific event-based continuous-time approaches Industrial and Engineering Chemistry Research. 49: 7446-7469. DOI: 10.1021/ie901842k  1
2010 Verderame PM, Floudas CA. Operational planning of large-scale industrial batch plants under demand due date and amount uncertainty: II. Conditional value-at-risk framework Industrial and Engineering Chemistry Research. 49: 260-275. DOI: 10.1021/ie900925k  1
2010 Li J, Susarla N, Karimi IA, Shaik MA, Floudas CA. An analysis of some unit-specific event-based models for the short-term scheduling of noncontinuous processes Industrial and Engineering Chemistry Research. 49: 633-647. DOI: 10.1021/ie801879n  1
2010 Elia JA, Baliban RC, Floudas CA. Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 2: Simultaneous heat and power integration Industrial and Engineering Chemistry Research. 49: 7371-7388. DOI: 10.1021/ie100064q  1
2010 Baliban RC, Elia JA, Floudas CA. Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 1: Process alternatives, gasification modeling, process simulation, and economic analysis Industrial and Engineering Chemistry Research. 49: 7343-7370. DOI: 10.1021/ie100063y  1
2010 Misener R, Floudas CA. Global optimization of large-scale generalized pooling problems: Quadratically constrained MINLP models Industrial and Engineering Chemistry Research. 49: 5424-5438. DOI: 10.1021/ie100025e  1
2010 Misener R, Gounaris CE, Floudas CA. Global optimization and parametric analysis of large-scale extended pooling problems Computer Aided Chemical Engineering. 28: 847-852. DOI: 10.1016/S1570-7946(10)28142-7  1
2010 Misener R, Gounaris CE, Floudas CA. Mathematical modeling and global optimization of large-scale extended pooling problems with the (EPA) complex emissions constraints Computers and Chemical Engineering. 34: 1432-1456. DOI: 10.1016/j.compchemeng.2010.02.014  1
2010 Misener R, Floudas CA. Piecewise-linear approximations of multidimensional functions Journal of Optimization Theory and Applications. 145: 120-147. DOI: 10.1007/s10957-009-9626-0  1
2010 Lu HC, Li HL, Gounaris CE, Floudas CA. Convex relaxation for solving posynomial programs Journal of Global Optimization. 46: 147-154. DOI: 10.1007/s10898-009-9414-2  1
2010 Dimaggio PA, McAllister SR, Floudas CA, Feng XJ, Rabinowitz JD, Rabitz HA. A network flow model for biclustering via optimal re-ordering of data matrices Journal of Global Optimization. 47: 343-354. DOI: 10.1007/s10898-008-9349-z  1
2010 Birgin EG, Floudas CA, Martínez JM. Global minimization using an Augmented Lagrangian method with variable lower-level constraints Mathematical Programming. 125: 139-162. DOI: 10.1007/s10107-009-0264-y  1
2010 Gounaris CE, Wei J, Floudas CA, Ranjan R, Tsapatsis M. Rational design of shape selective separations and catalysis: Lattice relaxation and effective aperture size Aiche Journal. 56: 611-632. DOI: 10.1002/aic.12016  1
2010 DiMaggio PA, McAllister SR, Floudas CA, Feng XJ, Li G, Rabinowitz JD, Rabitz HA. Enhancing molecular discovery using descriptor-free rearrangement clustering techniques for sparse data sets Aiche Journal. 56: 405-418. DOI: 10.1002/aic.11986  1
2009 McAllister SR, Floudas CA. Enhanced Bounding Techniques to Reduce the Protein Conformational Search Space. Optimization Methods & Software. 24: 837-855. PMID 20634970 DOI: 10.1080/10556780902753486  1
2009 Sun J, 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. 394: 297-305. PMID 19766123 DOI: 10.1016/j.jmb.2009.09.023  1
2009 Subramani A, DiMaggio PA, Floudas CA. Selecting high quality protein structures from diverse conformational ensembles. Biophysical Journal. 97: 1728-36. PMID 19751678 DOI: 10.1016/j.bpj.2009.06.046  1
2009 DiMaggio 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 & Cellular Proteomics : McP. 8: 2527-43. PMID 19666874 DOI: 10.1074/mcp.M900144-MCP200  1
2009 Young NL, DiMaggio PA, Plazas-Mayorca MD, Baliban RC, Floudas CA, Garcia BA. High throughput characterization of combinatorial histone codes. Molecular & Cellular Proteomics : McP. 8: 2266-84. PMID 19654425 DOI: 10.1074/mcp.M900238-MCP200  1
2009 Rajgaria R, McAllister SR, Floudas CA. Towards accurate residue-residue hydrophobic contact prediction for alpha helical proteins via integer linear optimization. Proteins. 74: 929-47. PMID 18767158 DOI: 10.1002/prot.22202  1
2009 Yoon SG, Park S, Lee J, Verderame PM, Floudas CA. Evaluation of synergy effect in the horizontal merger of companies in a petrochemical complex Industrial and Engineering Chemistry Research. 48: 11017-11033. DOI: 10.1021/ie900802v  1
2009 Verderame PM, Floudas CA. Operational planning of large-scale industrial batch plants under demand due date and amount uncertainty. I. Robust optimization framework Industrial and Engineering Chemistry Research. 48: 7214-7231. DOI: 10.1021/ie9001124  1
2009 Gounaris CE, Misener R, Floudas CA. Computational comparison of piecewise-linear relaxations for pooling problems Industrial and Engineering Chemistry Research. 48: 5742-5766. DOI: 10.1021/ie8016048  1
2009 Misener R, Gounaris CE, Floudas CA. Global optimization of gas lifting operations: A comparative study of piecewise linear formulations Industrial and Engineering Chemistry Research. 48: 6098-6104. DOI: 10.1021/ie8012117  1
2009 Yoon SG, Park S, Lee J, Verderame PM, Floudas CA. Selecting the optimal target company based on synergy calculation for the vertical merger in a petrochemical complex Industrial and Engineering Chemistry Research. 48: 1511-1521. DOI: 10.1021/ie8011787  1
2009 Shaik MA, Floudas CA. Novel unified modeling approach for short-term scheduling Industrial and Engineering Chemistry Research. 48: 2947-2964. DOI: 10.1021/ie8010726  1
2009 Yoon SG, Park S, Lee J, Verderame PM, Floudas CA. Evaluation of synergy effect in the merger of companies in a petrochemical complex Computer Aided Chemical Engineering. 27: 2061-2066. DOI: 10.1016/S1570-7946(09)70734-5  1
2009 Ranjan R, Thust S, Gounaris CE, Woo M, Floudas CA, Keitz Mv, Valentas KJ, Wei J, Tsapatsis M. Adsorption of fermentation inhibitors from lignocellulosic biomass hydrolyzates for improved ethanol yield and value-added product recovery Microporous and Mesoporous Materials. 122: 143-148. DOI: 10.1016/j.micromeso.2009.02.025  1
2009 Verderame PM, Floudas CA. Operational planning framework for multisite production and distribution networks Computers and Chemical Engineering. 33: 1036-1050. DOI: 10.1016/j.compchemeng.2008.09.008  1
2009 Shaik MA, Floudas CA, Kallrath J, Pitz HJ. Production scheduling of a large-scale industrial continuous plant: Short-term and medium-term scheduling Computers and Chemical Engineering. 33: 670-686. DOI: 10.1016/j.compchemeng.2008.08.013  1
2009 Floudas CA. Comments on: Optimization and data mining in biomedicine Top. 17: 237-238. DOI: 10.1007/s11750-009-0125-0  1
2009 McAllister SR, Dimaggio PA, Floudas CA. Mathematical modeling and efficient optimization methods for the distance-dependent rearrangement clustering problem Journal of Global Optimization. 45: 111-129. DOI: 10.1007/s10898-008-9393-8  1
2009 Floudas CA, Gounaris CE. A review of recent advances in global optimization Journal of Global Optimization. 45: 3-38. DOI: 10.1007/s10898-008-9332-8  1
2009 Wei J, Floudas CA, Gounaris CE, Somorjai GA. Search engines for shape selectivity Catalysis Letters. 133: 234-241. DOI: 10.1007/s10562-009-0155-0  1
2009 Misener R, Floudas CA. Advances for the pooling problem: Modeling, global optimization, and computational studies Survey Applied and Computational Mathematics. 8: 3-22.  1
2008 DiMaggio PA, McAllister SR, Floudas CA, Feng XJ, Rabinowitz JD, Rabitz HA. Biclustering via optimal re-ordering of data matrices in systems biology: rigorous methods and comparative studies. Bmc Bioinformatics. 9: 458. PMID 18954459 DOI: 10.1186/1471-2105-9-458  1
2008 McAllister SR, Feng XJ, DiMaggio PA, Floudas CA, Rabinowitz JD, Rabitz H. Descriptor-free molecular discovery in large libraries by adaptive substituent reordering. Bioorganic & Medicinal Chemistry Letters. 18: 5967-70. PMID 18851908 DOI: 10.1016/j.bmcl.2008.09.068  1
2008 McAllister SR, Floudas CA. Alpha-helical topology prediction and generation of distance restraints in membrane proteins. Biophysical Journal. 95: 5281-95. PMID 18775963 DOI: 10.1529/biophysj.108.132241  0.84
2008 Tan MP, Smith EN, Broach JR, Floudas CA. Microarray data mining: a novel optimization-based approach to uncover biologically coherent structures. Bmc Bioinformatics. 9: 268. PMID 18538024 DOI: 10.1186/1471-2105-9-268  1
2008 DiMaggio PA, Floudas CA, Lu B, Yates 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. 7: 1584-93. PMID 18324765 DOI: 10.1021/pr700577z  1
2008 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. 94: 2470-81. PMID 18178645 DOI: 10.1529/biophysj.107.117622  1
2008 Rajgaria R, McAllister SR, Floudas CA. Distance dependent centroid to centroid force fields using high resolution decoys. Proteins. 70: 950-70. PMID 17847088 DOI: 10.1002/prot.21561  1
2008 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. 94: 584-99. PMID 17827237 DOI: 10.1529/biophysj.107.110627  1
2008 Yoon SG, Park SB, Park S, Lee J, Verderame PM, Floudas CA. Synergy in mergers of petrochemical companies within a complex considering purchasing and selling advantage with process integration 2008 Aiche Spring National Meeting, Conference Proceedings 1
2008 Dimaggio PA, Baliban R, Garcia BA, Floudas CA. A novel mixed-integer linear optimization framework for the identification of post-translationally modified proteins using ETD/ECD tandem mass spectrometry Aiche Annual Meeting, Conference Proceedings 1
2008 Dimaggio PA, Floudas CA, Salinas KA, Hemmer MJ, Serrano JA, Walker CC. De novo identification of biomarker proteins using tandem mass spectrometry Aiche Annual Meeting, Conference Proceedings 1
2007 Dimaggio PA, Floudas CA. A Mixed-Integer Optimization Framework for De Novo Peptide Identification. Aiche Journal. American Institute of Chemical Engineers. 53: 160-173. PMID 19412358 DOI: 10.1002/aic.11061  1
2007 Tan MP, Broach JR, Floudas CA. Evaluation of normalization and pre-clustering issues in a novel clustering approach: global optimum search with enhanced positioning. Journal of Bioinformatics and Computational Biology. 5: 895-913. PMID 17787062 DOI: 10.1142/S0219720007002941  1
2007 DiMaggio PA, Floudas CA. De novo peptide identification via tandem mass spectrometry and integer linear optimization. Analytical Chemistry. 79: 1433-46. PMID 17297942 DOI: 10.1021/ac0618425  1
2006 McAllister SR, Mickus BE, Klepeis JL, Floudas CA. Novel approach for alpha-helical topology prediction in globular proteins: generation of interhelical restraints. Proteins. 65: 930-52. PMID 17029234 DOI: 10.1002/prot.21095  1
2006 Rajgaria R, McAllister SR, Floudas CA. A novel high resolution Calpha--Calpha distance dependent force field based on a high quality decoy set. Proteins. 65: 726-41. PMID 16981202 DOI: 10.1002/prot.21149  1
2005 Klepeis JL, Wei Y, Hecht MH, Floudas CA. Ab initio prediction of the three-dimensional structure of a de novo designed protein: a double-blind case study. Proteins. 58: 560-70. PMID 15609306 DOI: 10.1002/prot.20338  1
2004 Morikis D, Soulika AM, Mallik B, Klepeis JL, Floudas CA, Lambris JD. Improvement of the anti-C3 activity of compstatin using rational and combinatorial approaches. Biochemical Society Transactions. 32: 28-32. PMID 14748706 DOI: 10.1042/  1
2004 Schafroth HD, Floudas CA. Predicting peptide binding to MHC pockets via molecular modeling, implicit solvation, and global optimization. Proteins. 54: 534-56. PMID 14748001 DOI: 10.1002/prot.10608  1
2004 Loose C, Klepeis JL, Floudas CA. A new pairwise folding potential based on improved decoy generation and side-chain packing. Proteins. 54: 303-14. PMID 14696192 DOI: 10.1002/prot.10521  1
2003 Klepeis JL, Floudas CA. ASTRO-FOLD: a combinatorial and global optimization framework for Ab initio prediction of three-dimensional structures of proteins from the amino acid sequence. Biophysical Journal. 85: 2119-46. PMID 14507680 DOI: 10.1016/S0006-3495(03)74640-2  1
2003 Klepeis JL, Floudas CA, Morikis D, Tsokos CG, Argyropoulos E, Spruce L, Lambris JD. Integrated computational and experimental approach for lead optimization and design of compstatin variants with improved activity. Journal of the American Chemical Society. 125: 8422-3. PMID 12848533 DOI: 10.1021/ja034846p  1
2003 Klepeis JL, Pieja MJ, Floudas CA. Hybrid global optimization algorithms for protein structure prediction: alternating hybrids. Biophysical Journal. 84: 869-82. PMID 12547770 DOI: 10.1016/S0006-3495(03)74905-4  1
2003 Klepeis JL, Floudas CA. Prediction of beta-sheet topology and disulfide bridges in polypeptides. Journal of Computational Chemistry. 24: 191-208. PMID 12497599 DOI: 10.1002/jcc.10167  1
2002 Klepeis JL, Floudas CA. Ab initio prediction of helical segments in polypeptides. Journal of Computational Chemistry. 23: 245-66. PMID 11924737 DOI: 10.1002/jcc.10002  1
1996 Hatzimanikatis V, Floudas CA, Bailey JE. Optimization of regulatory architectures in metabolic reaction networks. Biotechnology and Bioengineering. 52: 485-500. PMID 18629921 DOI: 10.1002/(SICI)1097-0290(19961120)52:4<485::AID-BIT4>3.0.CO;2-L  1
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