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Electrostatic effects in proteins: comparison of dielectric and charge models

Protein engineering, 1991-12, Vol.4 (8), p.903-910

1991

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Mutations in PTPN11 , encoding the protein tyrosine phosphatase SHP-2, cause Noonan syndrome

Nature genetics, 2001-12, Vol.29 (4), p.465-468

2001

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The role of hydrophobic microenvironments in modulating pKa shifts in proteins

Proteins, structure, function, and bioinformatics, 2002-08, Vol.48 (2), p.283-292

2002

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Key issues in the computational simulation of GPCR function: representation of loop domains

Journal of computer-aided molecular design, 2002-11, Vol.16 (11), p.841-853

2002

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A Self-Consistent, Microenvironment Modulated Screened Coulomb Potential Approximation to Calculate pH-Dependent Electrostatic Effects in Proteins

Biophysical journal, 1999-07, Vol.77 (1), p.3-22

1999

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Comment on "a fast and simple method to calculate protonation states in proteins"

Proteins, structure, function, and bioinformatics, 2000-07, Vol.40 (1), p.1-3

2000

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Electrostatic screening in molecular dynamics simulations

Protein engineering, 1991-12, Vol.4 (8), p.911-917

1991

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Electrostatic effects in water-accessible regions of proteins

Biochemistry (Easton), 1984-08, Vol.23 (17), p.3887-3891

1984

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Ca2-binding and structural dynamics in the functions of calmodulin

Annual review of physiology, 1994-10, Vol.56, p.213-236

1994

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Structural dynamics of calmodulin and troponin C

Protein engineering, 1991, Vol.4 (6), p.625-637

1991

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Structural Change Mechanisms in Regulatory Proteins

Science (American Association for the Advancement of Science), 1996-03, Vol.271 (5257), p.1792-1793

1996

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Modeling solvent effects in molecular dynamics simulations of proteins

International journal of quantum chemistry, 1992-09, Vol.44 (2), p.291-299

1992

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Comparison of dielectric response models for simulating electrostatic effects in proteins

Protein engineering, 1990-04, Vol.3 (5), p.415-417

MEHLER, E. L

1990

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Graphical representation of hydrogen bonding patterns in proteins

Protein engineering, 1991-04, Vol.4 (4), p.421-425

1991

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Electronic determinants of the anti-inflammatory action of benzoic and salicylic acids

Molecular pharmacology, 1987-03, Vol.31 (3), p.284-293

1987

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Solvation in simulated annealing and high-temperature molecular dynamics of proteins: A restrained water droplet model

International journal of quantum chemistry, 2000, Vol.77 (1), p.174-186

2000

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Semiempirical calculations of the electronic absorption spectra of vitamin B6 derivatives in the active site of mitochondrial aspartate aminotransferase

Journal of the American Chemical Society, 1993-03, Vol.115 (5), p.1894-1902

1993

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Semiempirical calculations of the electronic absorption spectrum of mitochondrial aspartate aminotransferase. 2. The 2-methylaspartate complex

Journal of the American Chemical Society, 1993-10, Vol.115 (21), p.9789-9793

1993

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Mutations in the protein tyrosine kinase gene, PTPN11 , cause Noonan syndrome

Nature genetics, 2001-12, Vol.29 (4), p.491-491

2001

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Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties

Proteins, structure, function, and bioinformatics, 2005-08, Vol.60 (3), p.464-484

2005

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Evaluation of small Gaussian basis sets and analysis of substituent effects in monosubstituted benzenes and phenols

Journal of the American Chemical Society, 1985-10, Vol.107 (21), p.5856-5863

1985

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Ca(2+)-binding and structural dynamics in the functions of calmodulin

Annual review of physiology, 1994, Vol.56, p.213-236

1994

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Self-consistent, nonorthogonal group function approximation. III. Approaches for modeling intermolecular interactions

Journal of computational chemistry, 1991-09, Vol.12 (7), p.811-828

1991

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A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

The journal of physical chemistry. B, 2000-07, Vol.104 (27), p.6478-6489

2000

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A critical analysis of continuum electrostatics: The screened Coulomb potential-implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins

Proteins, structure, function, and bioinformatics, 2002-04, Vol.47 (1), p.45-61

2002

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Electrostatic effects in proteins: comparison of dielectric and charge models

Mutations in PTPN11 , encoding the protein tyrosine phosphatase SHP-2, cause Noonan syndrome

The role of hydrophobic microenvironments in modulating pKa shifts in proteins

Key issues in the computational simulation of GPCR function: representation of loop domains

A Self-Consistent, Microenvironment Modulated Screened Coulomb Potential Approximation to Calculate pH-Dependent Electrostatic Effects in Proteins

Comment on "a fast and simple method to calculate protonation states in proteins"

Electrostatic screening in molecular dynamics simulations

Electrostatic effects in water-accessible regions of proteins

Ca2-binding and structural dynamics in the functions of calmodulin

Structural dynamics of calmodulin and troponin C

Structural Change Mechanisms in Regulatory Proteins

Modeling solvent effects in molecular dynamics simulations of proteins

Comparison of dielectric response models for simulating electrostatic effects in proteins

Graphical representation of hydrogen bonding patterns in proteins

Electronic determinants of the anti-inflammatory action of benzoic and salicylic acids

Solvation in simulated annealing and high-temperature molecular dynamics of proteins: A restrained water droplet model

Semiempirical calculations of the electronic absorption spectra of vitamin B6 derivatives in the active site of mitochondrial aspartate aminotransferase

Semiempirical calculations of the electronic absorption spectrum of mitochondrial aspartate aminotransferase. 2. The 2-methylaspartate complex

Mutations in the protein tyrosine kinase gene, PTPN11 , cause Noonan syndrome

Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties

Evaluation of small Gaussian basis sets and analysis of substituent effects in monosubstituted benzenes and phenols

Ca(2+)-binding and structural dynamics in the functions of calmodulin

Self-consistent, nonorthogonal group function approximation. III. Approaches for modeling intermolecular interactions

A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

A critical analysis of continuum electrostatics: The screened Coulomb potential-implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins

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