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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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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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Ab initio prediction of the three-dimensional structure of a de novo designed protein: A double-blind case study

Proteins, structure, function, and bioinformatics, 2005-02, Vol.58 (3), p.560-570

2005

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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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Integrated Computational and Experimental Approach for Lead Optimization and Design of Compstatin Variants with Improved Activity

Journal of the American Chemical Society, 2003-07, Vol.125 (28), p.8422-8423

2003

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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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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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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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Ab initio Tertiary Structure Prediction of Proteins

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

2003

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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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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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Deterministic Global Optimization and Ab Initio Approaches for the Structure Prediction of Polypeptides, Dynamics of Protein Folding, and Protein‐Protein Interactions

Computational Methods for Protein Folding, 2002-01, p.265-457

2002

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Deterministic global optimization and torsion angle dynamics for molecular structure prediction

Computers & chemical engineering, 2000-07, Vol.24 (2), p.1761-1766

2000

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Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions

Computers & chemical engineering, 1998-01, Vol.22 (6), p.765-788

1998

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Protein folding and peptide docking: A molecular modeling and global optimization approach

Computers & chemical engineering, 1998-01, Vol.22, p.S3-S10

1998

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ASTRO-FOLD: Ab-initio secondary and tertiary structure prediction in protein folding

Computer Aided Chemical Engineering, 2002, Vol.10, p.97-102

2002

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New Technologies for Molecular Dynamics Simulations

Comprehensive Biophysics, 2012, Vol.9, p.86-104

2012

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The effect of cigar smoking on indoor levels of carbon monoxide and particles

Journal of exposure analysis and environmental epidemiology, 1999-12, Vol.9 (6), p.622-635

1999

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

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

Ab initio prediction of the three-dimensional structure of a de novo designed protein: A double-blind case study

Hybrid Global Optimization Algorithms for Protein Structure Prediction: Alternating Hybrids

Integrated Computational and Experimental Approach for Lead Optimization and Design of Compstatin Variants with Improved Activity

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

Prediction of β-sheet topology and disulfide bridges in polypeptides

Ab initio prediction of helical segments in polypeptides

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

Ab initio Tertiary Structure Prediction of Proteins

Free energy calculations for peptides via deterministic global optimization

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

Analysis and prediction of loop segments in protein structures

Deterministic Global Optimization and Ab Initio Approaches for the Structure Prediction of Polypeptides, Dynamics of Protein Folding, and Protein‐Protein Interactions

Deterministic global optimization and torsion angle dynamics for molecular structure prediction

Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions

Protein folding and peptide docking: A molecular modeling and global optimization approach

ASTRO-FOLD: Ab-initio secondary and tertiary structure prediction in protein folding

New Technologies for Molecular Dynamics Simulations

The effect of cigar smoking on indoor levels of carbon monoxide and particles

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