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Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

Biophysical journal, 2005-07, Vol.89 (1), p.465-474

2005

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Properties of integral membrane protein structures: Derivation of an implicit membrane potential

Proteins, structure, function, and bioinformatics, 2005-05, Vol.59 (2), p.252-265

2005

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Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding

Proceedings of the National Academy of Sciences - PNAS, 2007-09, Vol.104 (39), p.15230-15235

2007

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Molecular Origin of Gerstmann-Sträussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide

Biophysical journal, 2011-06, Vol.100 (12), p.3000-3007

2011

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Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water

Proteins, structure, function, and bioinformatics, 2005-05, Vol.59 (3), p.519-527

2005

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Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism

Biometals, 2011-04, Vol.24 (2), p.259-268

2011

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Molecular Dynamics Simulation of the Neuroglobin Crystal: Comparison with the Simulation in Solution

Biophysical journal, 2008-11, Vol.95 (9), p.4157-4162

2008

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Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water

Proteins, structure, function, and bioinformatics, 2005-05, Vol.59 (3), p.510-518

2005

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Misfolding of the amyloid β-protein: A molecular dynamics study

Proteins, structure, function, and bioinformatics, 2006-01, Vol.62 (1), p.183-192

2006

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Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2011-10, Vol.115 (41), p.11872-11878

2011

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β-Hairpin conformation of fibrillogenic peptides: Structure and α-β transition mechanism revealed by molecular dynamics simulations

Proteins, structure, function, and bioinformatics, 2004-10, Vol.57 (1), p.198-204

2004

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Monte carlo folding of trans-membrane helical peptides in an implicit generalized Born membrane

Proteins, structure, function, and bioinformatics, 2007-11, Vol.69 (2), p.297-308

2007

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A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent

Biopolymers, 2004-12, Vol.75 (6), p.491-496

2004

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Monte Carlo vs Molecular Dynamics for All-Atom Polypeptide Folding Simulations

The journal of physical chemistry. B, 2006-08, Vol.110 (33), p.16733-16742

2006

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Theoretical Characterization of α-Helix and β-Hairpin Folding Kinetics

Journal of the American Chemical Society, 2005-10, Vol.127 (42), p.14825-14832

2005

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Effects of core-packing on the structure, function, and mechanics of a four-helix-bundle protein ROP

Proteins, structure, function, and bioinformatics, 1999-09, Vol.36 (4), p.436-446

1999

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Solution conformation of the Pseudomonas syringae pv syringae phytotoxic lipodepsipeptide syringopeptin 25-A: two dimensional NMR, distance geometry and molecular dynamics

European journal of biochemistry, 1995-12, Vol.234 (3), p.747-758

1995

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Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

Properties of integral membrane protein structures: Derivation of an implicit membrane potential

Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding

Molecular Origin of Gerstmann-Sträussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide

Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water

Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism

Molecular Dynamics Simulation of the Neuroglobin Crystal: Comparison with the Simulation in Solution

Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water

Misfolding of the amyloid β-protein: A molecular dynamics study

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

β-Hairpin conformation of fibrillogenic peptides: Structure and α-β transition mechanism revealed by molecular dynamics simulations

Monte carlo folding of trans-membrane helical peptides in an implicit generalized Born membrane

A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent

Monte Carlo vs Molecular Dynamics for All-Atom Polypeptide Folding Simulations

Theoretical Characterization of α-Helix and β-Hairpin Folding Kinetics

Effects of core-packing on the structure, function, and mechanics of a four-helix-bundle protein ROP

Solution conformation of the Pseudomonas syringae pv syringae phytotoxic lipodepsipeptide syringopeptin 25-A: two dimensional NMR, distance geometry and molecular dynamics

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