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1
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0001466684
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Global optimization of MINLP problems in process synthesis and design
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C. S. Adjiman, I. P. Androulakis and C. A. Floudas, Global optimization of MINLP problems in process synthesis and design, Comput. Chem. Eng. 21, (1997), S445-S450.
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(1997)
Comput. Chem. Eng.
, vol.21
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Adjiman, C.S.1
Androulakis, I.P.2
Floudas, C.A.3
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2
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-
11544357462
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A global optimization method,αBB, for general twice-differentiable NLPs - I. Theoretical advances
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accepted for publication
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C. S. Adjiman, S. Dallwig, C. A. Floudas and A. Neumaier, A global optimization method,αBB, for general twice-differentiable NLPs - I. Theoretical advances, Comput. Chem. Eng., (accepted for publication), (1997).
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(1997)
Comput. Chem. Eng.
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Adjiman, C.S.1
Dallwig, S.2
Floudas, C.A.3
Neumaier, A.4
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3
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11544336798
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A global optimization method, αBB, for general twice-differentiable NLPs - II. Implementation and computational results
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accepted for publication
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C. S. Adjiman, I. P. Androulakis and C. A. Floudas, A global optimization method, αBB, for general twice-differentiable NLPs - II. Implementation and computational results, Comput. Chem. Eng., (accepted for publication), (1997).
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(1997)
Comput. Chem. Eng.
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Adjiman, C.S.1
Androulakis, I.P.2
Floudas, C.A.3
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4
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0029709532
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A global optimization method, αBB, for process design
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C. S. Adjiman, I. P. Androulakis, C. D. Maranas and C. A. Floudas, A global optimization method, αBB, for process design, Comput. Chem. Eng., 20, (1996), S419-S424.
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(1996)
Comput. Chem. Eng.
, vol.20
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Adjiman, C.S.1
Androulakis, I.P.2
Maranas, C.D.3
Floudas, C.A.4
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5
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0003086747
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Rigorous convex underestimators for general twice-differentiable problems
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C. S. Adjiman and C. A. Floudas, Rigorous convex underestimators for general twice-differentiable problems, J. Global Optim., 9, (1996), 23-40.
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(1996)
J. Global Optim.
, vol.9
, pp. 23-40
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Adjiman, C.S.1
Floudas, C.A.2
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6
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0001327501
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αBB: A global optimization method for general constrained nonconvex problems
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I. P. Androulakis, C. D. Maranas and C. A. Floudas, αBB: A global optimization method for general constrained nonconvex problems, J. Global Optim., 7, (1995), 337-363.
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(1995)
J. Global Optim.
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Androulakis, I.P.1
Maranas, C.D.2
Floudas, C.A.3
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7
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1842639266
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Global minimum potential energy conformations of oligopeptides
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I. P. Androulakis, C. D. Maranas and C. A. Floudas, Global minimum potential energy conformations of oligopeptides, J. Global Optim., 11, (1997), 1-34.
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(1997)
J. Global Optim.
, vol.11
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Androulakis, I.P.1
Maranas, C.D.2
Floudas, C.A.3
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8
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0030923442
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A predictive method for the evaluation of peptide binding in pocket 1 of HLA-DRB1 via global minimization of energy interactions
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I. P. Androulakis, N. N. Nayak, M. G. Ierapetritou, D. S. Monos and C. A. Floudas, A predictive method for the evaluation of peptide binding in pocket 1 of HLA-DRB1 via global minimization of energy interactions, Proteins, 29, (1997), 87-102.
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(1997)
Proteins
, vol.29
, pp. 87-102
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Androulakis, I.P.1
Nayak, N.N.2
Ierapetritou, M.G.3
Monos, D.S.4
Floudas, C.A.5
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9
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0001151042
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An efficient, differentiable hydration potential for peptides and proteins
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J. D. Augspurger and H. A. Scheraga, An efficient, differentiable hydration potential for peptides and proteins, J. Comput. Chem., 17, (1996), 1549-1558.
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J. Comput. Chem.
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Augspurger, J.D.1
Scheraga, H.A.2
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10
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0022419375
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Aromaticaromatic interaction: A mechanism of protein structure stabilization
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Burley, S.K.1
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0000538815
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Analytical molecular surface calculation
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Connolly, M.L.1
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0141775255
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Deterministic global optimization in design, control, and computational chemistry
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Springer-Verlag
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C. A. Floudas, Deterministic global optimization in design, control, and computational chemistry, In IMA Volumes in Mathematics and its Applications, 93, Springer-Verlag, (1997), 129-184.
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(1997)
IMA Volumes in Mathematics and Its Applications
, vol.93
, pp. 129-184
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Floudas, C.A.1
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14
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0027006827
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Conformational analysis of met-enkephalin in both aqueous solution and in the presence of sodium dodecyl sulfate micelles using multidimensional NMR and molecular modeling
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W. H. Graham, E. S. Carter II and R. P. Hicks, Conformational analysis of met-enkephalin in both aqueous solution and in the presence of sodium dodecyl sulfate micelles using multidimensional NMR and molecular modeling, Biopolymers, 32, (1992), 1755-1764.
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Biopolymers
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Graham, W.H.1
Carter II, E.S.2
Hicks, R.P.3
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15
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0000678004
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Crown ether-neutral molecule interactions studied by molecular mechanics, normal mode analysis, and free energy perturbation calculations. Near quantitative agreement between theory and experimental binding free energies
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P. D. J. Grootenhuis and P. A. Kollman, Crown ether-neutral molecule interactions studied by molecular mechanics, normal mode analysis, and free energy perturbation calculations. Near quantitative agreement between theory and experimental binding free energies, J. Am. Chem. Soc., 111, (1989), 4046-4051.
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11544283623
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Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions
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accepted for publication
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J. L. Klepeis, I. P. Androulakis, M. G. Ierapetritou and C. A. Floudas, Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions, Comput. Chem. Eng., (accepted for publication), (1997).
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(1997)
Comput. Chem. Eng.
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Klepeis, J.L.1
Androulakis, I.P.2
Ierapetritou, M.G.3
Floudas, C.A.4
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19
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11544357496
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Princeton University, Princeton, NJ
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J. L. Klepeis, X. V. Nguyen and C. A. Floudas, GLO-FOLD : A package for global optimization using αBB in protein folding, Princeton University, Princeton, NJ, (1997).
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(1997)
GLO-FOLD : A Package for Global Optimization Using αBB in Protein Folding
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Klepeis, J.L.1
Nguyen, X.V.2
Floudas, C.A.3
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20
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0020491251
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A geometric approach to macromolecule-ligand interactions
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I. D. Kuntz, J. M. Blaney, S. J. Oatley, R. Landgridge and T. E. Ferrin, A geometric approach to macromolecule-ligand interactions, J. Mol. Biol., 161, (1982), 269-288.
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Ferrin, T.E.5
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21
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26844496701
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A global optimization approach for Lennard-Jones microclusters
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C. D. Maranas and C. A. Floudas, A global optimization approach for Lennard-Jones microclusters, J. Chem. Phys, 97, (1992), 7667-7677.
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J. Chem. Phys
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Maranas, C.D.1
Floudas, C.A.2
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22
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21144474702
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Global optimization for molecular conformation problems
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C. D. Maranas and C. A. Floudas, Global optimization for molecular conformation problems, Ann. Oper. Res., 42, (1993), 85-117.
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Ann. Oper. Res.
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Maranas, C.D.1
Floudas, C.A.2
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23
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36449005845
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A deterministic global optimization approach for molecular structure determination
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C. D. Maranas and C. A. Floudas, A deterministic global optimization approach for molecular structure determination, J. Chem. Phys., 100, (1994), 1247-1261.
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J. Chem. Phys.
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Maranas, C.D.1
Floudas, C.A.2
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24
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0001203963
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Global minimum potential energy conformations of small molecules
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C. D. Maranas and C. A. Floudas, Global minimum potential energy conformations of small molecules, J. Global Optim., 4, (1994), 135-170.
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(1994)
J. Global Optim.
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Maranas, C.D.1
Floudas, C.A.2
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25
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0141551955
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A deterministic global optimization approach for the protein folding problem
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Amer. Math. Soc.
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C. D. Maranas, I. P. Androulakis and C. A. Floudas, A deterministic global optimization approach for the protein folding problem, In DIMACS Series in Discrete Mathematics and Theoretical Computer Science, 23, Amer. Math. Soc., (1996), 133-150.
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(1996)
DIMACS Series in Discrete Mathematics and Theoretical Computer Science
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Maranas, C.D.1
Androulakis, I.P.2
Floudas, C.A.3
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26
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5944250450
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Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids
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F. A. Momany, R. F. McGuire, A. W. Burgess and H. A. Scheraga, Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids, J. Phys. Chem., 79, (1975), 2361-2381.
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Momany, F.A.1
McGuire, R.F.2
Burgess, A.W.3
Scheraga, H.A.4
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27
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1842272364
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HLA diversity: Functional and medical implications
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D. Monos, A. Soulika, E. Argyris, J. Gorga, L. Stern, V. Magafa, P. Cordopatis, I. P. Androulakis and C. A. Floudas, HLA diversity: Functional and medical implications, Proc. Intl. Histocomp. World. Conf., 12, (1997).
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Proc. Intl. Histocomp. World. Conf.
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Monos, D.1
Soulika, A.2
Argyris, E.3
Gorga, J.4
Stern, L.5
Magafa, V.6
Cordopatis, P.7
Androulakis, I.P.8
Floudas, C.A.9
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28
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0031236591
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Molecular modeling of proteins and mathematical prediction of protein structure
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A. Neumaier, Molecular modeling of proteins and mathematical prediction of protein structure, SIAM Rev., 39, (1997), 407-460.
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SIAM Rev.
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11544357496
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Princeton University, Princeton, NJ
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X. V. Nguyen, M. G. Ierapetritou and C. A. Floudas, GLO-DOCK : A package for global optimization using αBB in peptide docking, Princeton University, Princeton, NJ, (1997).
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(1997)
GLO-DOCK : A Package for Global Optimization Using αBB in Peptide Docking
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Nguyen, X.V.1
Ierapetritou, M.G.2
Floudas, C.A.3
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30
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0004576555
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Global minimization of nonconvex energy functions : Molecular conformation and protein folding
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Amer. Math. Soc.
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P. M. Pardalos, D. Shalloway and G. Xue (editors), Global minimization of nonconvex energy functions : Molecular conformation and protein folding, DIMACS Series in Discrete Mathematics and Theoretical Computer Science, 23, Amer. Math. Soc., (1996).
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Pardalos, P.M.1
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Xue, G.3
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84986462300
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MSEED: A program for the rapid analytical determination of accessible surface areas and their derivatives
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G. Perrot, B. Cheng, K. D. Gibson, J. Vila, K. A. Palmer, A. Nayeem, B. Maigret and H. A. Scheraga, MSEED: A program for the rapid analytical determination of accessible surface areas and their derivatives, J. Comp. Chem., 13, (1992), 1-11.
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Palmer, K.A.5
Nayeem, A.6
Maigret, B.7
Scheraga, H.A.8
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32
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0028348369
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Crystal structure of the human class II MHC protein HLA-DR1 complexed with an influenza virus peptide
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L. Stern, J. Brown, T. Jardetsky, J. Gorga, R. Urban, L. Strominger and D. Wiley, Crystal structure of the human class II MHC protein HLA-DR1 complexed with an influenza virus peptide, Nature, 368, (1994), 215-221.
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Stern, L.1
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Strominger, L.6
Wiley, D.7
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33
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0001290941
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Conformational energy calculations on polypeptides and proteins
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M. Vásquez, G. Némethy and H. A. Scheraga, Conformational energy calculations on polypeptides and proteins, Chem. Rev., 94, (1994), 2183-2239.
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Chem. Rev.
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0026680831
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Empirical solvation models in the context of conformational energy searches : Application to bovine pancreatic trypsin inhibitor
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R. L. Williams, J. Vila, G. Perrot and H. A. Scheraga, Empirical solvation models in the context of conformational energy searches : Application to bovine pancreatic trypsin inhibitor, Proteins, 14, (1992), 110-119.
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Proteins
, vol.14
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Williams, R.L.1
Vila, J.2
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Scheraga, H.A.4
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35
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0017435119
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Conformational analysis of the 20 naturally occurring amino acid residues using ECEPP
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S. S. Zimmerman, M. S. Pottle, G. Némethy and H. A. Scheraga, Conformational analysis of the 20 naturally occurring amino acid residues using ECEPP, Macromolecules, 10, (1977), 1-9.
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Macromolecules
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Zimmerman, S.S.1
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