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Phonon and magnetic structure in δ-plutonium from density-functional theory

Scientific reports, 2015-10, Vol.5 (1), p.15958-15958, Article 15958

2015

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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

Biophysical journal, 2003-10, Vol.85 (4), p.2119-2146

2003

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First-order isostructural mott transition in highly compressed MnO

Physical review letters, 2005-03, Vol.94 (11), p.115502.1-115502.4, Article 115502

2005

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Re-creating the Rural, Reconstructing Nature: An International Literature Review of the Environmental Implications of Amenity Migration

Conservation and society, 2012-07, Vol.10 (3), p.270-284

2012

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Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures

Journal of physics. Condensed matter, 2006-06, Vol.18 (22), p.5079-5085

2006

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Osmium has the lowest experimentally determined compressibility

Physical review letters, 2002-04, Vol.88 (13), p.135701-135701, Article 135701

2002

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Hybrid Global Optimization Algorithms for Protein Structure Prediction: Alternating Hybrids

Biophysical journal, 2003-02, Vol.84 (2), p.869-882

2003

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Ab initio calculations of elastic constants of the bcc V–Nb system at high pressures

The Journal of physics and chemistry of solids, 2006-09, Vol.67 (9), p.2056-2064

2006

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A new pairwise folding potential based on improved decoy generation and side-chain packing

Proteins, structure, function, and bioinformatics, 2004-02, Vol.54 (2), p.303-314

2004

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Prediction of β-sheet topology and disulfide bridges in polypeptides

Journal of computational chemistry, 2003-01, Vol.24 (2), p.191-208

2003

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A new class of hybrid global optimization algorithms for peptide structure prediction: integrated hybrids

Computer physics communications, 2003-03, Vol.151 (2), p.121-140

2003

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Design of Peptide Analogues with Improved Activity Using a Novel de Novo Protein Design Approach

Industrial & engineering chemistry research, 2004-07, Vol.43 (14), p.3817-3826

2004

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Ab initio prediction of helical segments in polypeptides

Journal of computational chemistry, 2002-01, Vol.23 (2), p.245-266

2002

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Ab initio Tertiary Structure Prediction of Proteins

Journal of global optimization, 2003-01, Vol.25 (1), p.113

2003

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Structural phase transition in vanadium at high pressure and high temperature: Influence of nonhydrostatic conditions

Physical review. B, Condensed matter and materials physics, 2011-02, Vol.83 (5), Article 054101

2011

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Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation

Physical review. B, Condensed matter, 2003, Vol.68 (8), Article 085310

2003

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Novel approach for α-helical topology prediction in globular proteins: Generation of interhelical restraints

Proteins, structure, function, and bioinformatics, 2006-12, Vol.65 (4), p.930-952

2006

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Comparison of the high-pressure behavior of the cerium oxides C e 2 O 3 and Ce O 2

Physical review. B, 2016-02, Vol.93 (6), Article 064106

2016

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Improvement of the anti-C3 activity of compstatin using rational and combinatorial approaches

Biochemical Society transactions, 2004-02, Vol.32 (Pt 1), p.28-32

2004

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Analysis and prediction of loop segments in protein structures

Computers & chemical engineering, 2005-02, Vol.29 (3), p.423-436

2005

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Elastic properties of Pu metal and Pu-Ga alloys

Physical review. B, Condensed matter and materials physics, 2010-06, Vol.81 (22), Article 224110

2010

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First-principles electronic and elastic properties of plutonium metal

IOP conference series. Materials Science and Engineering, 2010-03, Vol.9 (1), p.012083-012083

2010

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Free energy calculations for peptides via deterministic global optimization

The Journal of chemical physics, 1999-04, Vol.110 (15), p.7491-7512

1999

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Gaussian split Ewald: A fast Ewald mesh method for molecular simulation

The Journal of chemical physics, 2005-02, Vol.122 (5), p.54101-54101

2005

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Transformation of molecular nitrogen to nonmolecular phases at megabar pressures by direct laser heating

Physical review. B, Condensed matter and materials physics, 2007-07, Vol.76 (1), Article 014113

2007

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Phonon and magnetic structure in δ-plutonium from density-functional theory

ASTRO-FOLD: A Combinatorial and Global Optimization Framework for Ab Initio Prediction of Three-Dimensional Structures of Proteins from the Amino Acid Sequence

First-order isostructural mott transition in highly compressed MnO

Re-creating the Rural, Reconstructing Nature: An International Literature Review of the Environmental Implications of Amenity Migration

Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures

Osmium has the lowest experimentally determined compressibility

Hybrid Global Optimization Algorithms for Protein Structure Prediction: Alternating Hybrids

Ab initio calculations of elastic constants of the bcc V–Nb system at high pressures

A new pairwise folding potential based on improved decoy generation and side-chain packing

Prediction of β-sheet topology and disulfide bridges in polypeptides

A new class of hybrid global optimization algorithms for peptide structure prediction: integrated hybrids

Design of Peptide Analogues with Improved Activity Using a Novel de Novo Protein Design Approach

Ab initio prediction of helical segments in polypeptides

Ab initio Tertiary Structure Prediction of Proteins

Structural phase transition in vanadium at high pressure and high temperature: Influence of nonhydrostatic conditions

Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation

Novel approach for α-helical topology prediction in globular proteins: Generation of interhelical restraints

Comparison of the high-pressure behavior of the cerium oxides C e 2 O 3 and Ce O 2

Improvement of the anti-C3 activity of compstatin using rational and combinatorial approaches

Analysis and prediction of loop segments in protein structures

Elastic properties of Pu metal and Pu-Ga alloys

First-principles electronic and elastic properties of plutonium metal

Free energy calculations for peptides via deterministic global optimization

Gaussian split Ewald: A fast Ewald mesh method for molecular simulation

Transformation of molecular nitrogen to nonmolecular phases at megabar pressures by direct laser heating

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