Search Results - "Floudas, C.A."

Computational methods in protein structure prediction by Floudas, C.A.

“…This review presents the advances in protein structure prediction from the computational methods perspective. The approaches are classified into four major…”
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Advances in protein structure prediction and de novo protein design: A review by Floudas, C.A., Fung, H.K., McAllister, S.R., Mönnigmann, M., Rajgaria, R.

“…This review provides an exposition to the important problems of (i) structure prediction in protein folding and (ii) de novo protein design. The recent…”
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Enhanced inter-helical residue contact prediction in transmembrane proteins by Wei, Y., Floudas, C.A.

“…In this paper, based on a recent work by McAllister and Floudas who developed a mathematical optimization model to predict the contacts in transmembrane…”
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Hybrid Global Optimization Algorithms for Protein Structure Prediction: Alternating Hybrids by Klepeis, J.L., Pieja, M.J., Floudas, C.A.

“…Hybrid global optimization methods attempt to combine the beneficial features of two or more algorithms, and can be powerful methods for solving challenging…”
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Global optimization of MINLP problems in process synthesis and design by Adjiman, C.S., Androulakis, I.P., Floudas, C.A.

“…Two new methodologies for the global optimization of MINLP models, the Special structure Mixed Integer Nonlinear αBB, SMIN-αBB, and the General structure Mixed…”
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Rules-based heuristic approach for the U-shaped assembly line balancing problem by Li, Ming, Tang, Qiuhua, Zheng, Qiaoxian, Xia, Xuhui, Floudas, C.A.

“…•Mathematical model of the type-2U-shaped assembly line balancing problem (UALBP-2).•Propose a novel heuristic approach with multiple rules for solving the…”
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Solving long-term financial planning problems via global optimization by Maranas, C.D., Androulakis, I.P., Floudas, C.A., Berger, A.J., Mulvey, J.M.

“…A significant multi-stage financial planning problem is posed as a stochastic program with decision rules. The decision rule — called dynamically balanced —…”
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Short-term scheduling: New mathematical models vs algorithmic improvements by Ierapetritou, M.G., Floudas, C.A.

“…In this paper, a novel formulation is presented for the short-term scheduling of batch plants. The proposed formulation is based on a continuous time…”
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Operational planning under uncertainty by Ierapetritou, M.G., Pistikopoulos, E.N., Floudas, C.A.

“…This paper is concerned with the problem of operational and production planning under varying conditions and changing economic circumstances. The effect of…”
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Global optimization in the 21st century: Advances and challenges by Floudas, C.A., Akrotirianakis, I.G., Caratzoulas, S., Meyer, C.A., Kallrath, J.

“…This paper presents an overview of the research progress in global optimization during the last 5 years (1998–2003), and a brief account of our recent research…”
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Protein folding and peptide docking: A molecular modeling and global optimization approach by Klepeis, J.L., Ierapetritou, M.G., Floudas, C.A.

“…Global optimization approaches are proposed for addressing both the protein folding and peptide docking problems. In the protein folding problem, the ultimate…”
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Enhanced Continuous-Time Unit-Specific Event-Based Formulation for Short-Term Scheduling of Multipurpose Batch Processes:  Resource Constraints and Mixed Storage Policies by Janak, Stacy L, Lin, Xiaoxia, Floudas, Christodoulos A

“…An enhanced continuous-time formulation is presented for the short-term scheduling of multipurpose batch plants with intermediate due dates. The proposed…”
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Methane Conversion to Ethylene and Acetylene:  Optimal Control with Chlorine, Oxygen, and Heat Flux by Rojnuckarin, Atipat, Floudas, Christodoulos A, Rabitz, Herschel, Yetter, Richard A

“…In this paper, an optimal control strategy is applied to the problem of finding the flux profiles for the conversion of methane to ethylene and acetylene in a…”
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Effective Continuous-Time Formulation for Short-Term Scheduling. 1. Multipurpose Batch Processes by Ierapetritou, M. G, Floudas, C. A

“…During the last decade, the problem of production scheduling has been realized to be one of the most important problems in industrial plant operations…”
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ASTRO-FOLD: A Combinatorial and Global Optimization Framework for Ab Initio Prediction of Three-Dimensional Structures of Proteins from the Amino Acid Sequence by Klepeis, J.L., Floudas, C.A.

“…The field of computational biology has been revolutionized by recent advances in genomics. The completion of a number of genome projects, including that of the…”
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Discovery of Entry Inhibitors for HIV-1 via a New De Novo Protein Design Framework by Bellows, M.L., Taylor, M.S., Cole, P.A., Shen, L., Siliciano, R.F., Fung, H.K., Floudas, C.A.

“…A new (to our knowledge) de novo design framework with a ranking metric based on approximate binding affinity calculations is introduced and applied to the…”
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Locating all azeotropes in homogeneous azeotropic systems by Maranas, C.D., McDonald, C.M., Harding, S.T., Floudas, C.A.

“…A global optimization based approach for finding all homogeneous azeotropes in multicomponent mixtures is presented. The global optimization approach is based…”
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Design, synthesis and scheduling of multipurpose batch plants via an effective continuous-time formulation by Lin, X, Floudas, C.A

“…Design, synthesis and scheduling issues are considered simultaneously for multipurpose batch plants. An earlier proposed continuous-time formulation for…”
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Effective Continuous-Time Formulation for Short-Term Scheduling. 2. Continuous and Semicontinuous Processes by Ierapetritou, M. G, Floudas, C. A

“…Part 1 presented a novel continuous-time mathematical formulation for the short-term scheduling of batch processes. Most production networks, however, involve…”
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A global optimization method, αBB, for general twice-differentiable constrained NLPs — I. Theoretical advances by Adjiman, C.S., Dallwig, S., Floudas, C.A., Neumaier, A.

“…In this paper, the deterministic global optimization algorithm, αBB ( α-based Branch and Bound) is presented. This algorithm offers mathematical guarantees for…”
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