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The Kinetics of Ligand Migration in Crystallized Myoglobin as Revealed by Molecular Dynamics Simulations

Biophysical journal, 2008-06, Vol.94 (11), p.4277-4281

2008

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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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Molecular Dynamics Simulation of Protein Folding by Essential Dynamics Sampling: Folding Landscape of Horse Heart Cytochrome c

Biophysical journal, 2003-11, Vol.85 (5), p.2865-2871

2003

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Selective Excitation of Native Fluctuations during Thermal Unfolding Simulations: Horse Heart Cytochrome c as a Case Study

Biophysical journal, 2003-03, Vol.84 (3), p.1876-1883

2003

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Molecular Dynamics Simulations of Lignin Peroxidase in Solution

Biophysical journal, 2003-06, Vol.84 (6), p.3883-3893

2003

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The Effect of Protein Conformational Flexibility on the Electronic Properties of a Chromophore

Biophysical journal, 2003-05, Vol.84 (5), p.2805-2813

2003

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On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations

Proteins, structure, function, and bioinformatics, 1999-09, Vol.36 (4), p.419-424

1999

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A Generalized Born Implicit-Membrane Representation Compared to Experimental Insertion Free Energies

Biophysical journal, 2007-04, Vol.92 (7), p.2338-2349

2007

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Molecular Dynamics Simulation of Deoxy and Carboxy Murine Neuroglobin in Water

Biophysical journal, 2007-07, Vol.93 (2), p.434-441

2007

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Extended Molecular Dynamics Simulation of the Carbon Monoxide Migration in Sperm Whale Myoglobin

Biophysical journal, 2004-06, Vol.86 (6), p.3855-3862

2004

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The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations

Proteins, structure, function, and bioinformatics, 2011-03, Vol.79 (3), p.867-879

2011

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Evaluating Tilt Angles of Membrane-Associated Helices: Comparison of Computational and NMR Techniques

Biophysical journal, 2006-03, Vol.90 (5), p.1650-1660

2006

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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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Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

Proteins, structure, function, and bioinformatics, 1999-05, Vol.35 (2), p.153-162

1999

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Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket

Biophysical journal, 2007-05, Vol.92 (10), p.3442-3447

2007

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Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics

Journal of computer-aided molecular design, 2005-05, Vol.19 (5), p.329-340

2005

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A molecular dynamics study of the 41–56 β-hairpin from B1 domain of protein G

Protein science, 1999-10, Vol.8 (10), p.2130-2143

1999

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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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Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations

Journal of the American Chemical Society, 2010-10, Vol.132 (42), p.14901-14909

2010

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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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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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Dynamic effects of mutations within two loops of cytochrome c551 from Pseudomonas aeruginosa

Proteins, structure, function, and bioinformatics, 2003-02, Vol.50 (2), p.222-229

2003

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Structural, thermodynamic, and kinetic properties of Gramicidin analogue GS6 studied by molecular dynamics simulations and statistical mechanics

Biopolymers, 2009-12, Vol.91 (12), p.1154-1160

2009

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On the Effect of a Point Mutation on the Reactivity of CuZn Superoxide Dismutase: A Theoretical Study

The journal of physical chemistry. B, 2006-04, Vol.110 (14), p.7538-7544

2006

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Conformational fluctuations and electronic properties in myoglobin

Journal of computational chemistry, 2004-05, Vol.25 (7), p.974-984

2004

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The Kinetics of Ligand Migration in Crystallized Myoglobin as Revealed by Molecular Dynamics Simulations

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

Molecular Dynamics Simulation of Protein Folding by Essential Dynamics Sampling: Folding Landscape of Horse Heart Cytochrome c

Selective Excitation of Native Fluctuations during Thermal Unfolding Simulations: Horse Heart Cytochrome c as a Case Study

Molecular Dynamics Simulations of Lignin Peroxidase in Solution

The Effect of Protein Conformational Flexibility on the Electronic Properties of a Chromophore

On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations

A Generalized Born Implicit-Membrane Representation Compared to Experimental Insertion Free Energies

Molecular Dynamics Simulation of Deoxy and Carboxy Murine Neuroglobin in Water

Extended Molecular Dynamics Simulation of the Carbon Monoxide Migration in Sperm Whale Myoglobin

The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations

Evaluating Tilt Angles of Membrane-Associated Helices: Comparison of Computational and NMR Techniques

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

Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket

Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics

A molecular dynamics study of the 41–56 β-hairpin from B1 domain of protein G

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

Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations

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

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

Dynamic effects of mutations within two loops of cytochrome c551 from Pseudomonas aeruginosa

Structural, thermodynamic, and kinetic properties of Gramicidin analogue GS6 studied by molecular dynamics simulations and statistical mechanics

On the Effect of a Point Mutation on the Reactivity of CuZn Superoxide Dismutase: A Theoretical Study

Conformational fluctuations and electronic properties in myoglobin

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