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Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations

Journal of molecular biology, 1995-09, Vol.252 (4), p.492-503

1995

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An Efficient Mean Solvation Force Model for Use in Molecular Dynamics Simulations of Proteins in Aqueous Solution

Journal of molecular biology, 1996-03, Vol.256 (5), p.939-948

1996

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Dynamical properties of bovine pancreatic trypsin inhibitor from a molecular dynamics simulation at 5000 atm

FEBS letters, 1993-06, Vol.323 (3), p.215-217

1993

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Algorithms for macromolecular dynamics and constraint dynamics

Molecular physics, 1977-11, Vol.34 (5), p.1311-1327

1977

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Energy-Entropy Compensation in the Transfer of Nonpolar Solutes from Water to Cosolvent/Water Mixtures

Chemphyschem, 2004-01, Vol.5 (1), p.144-147

2004

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Effect of methylation on the stability and solvation free energy of amylose and cellulose fragments: a molecular dynamics study

Carbohydrate research, 2004-07, Vol.339 (10), p.1697-1709

2004

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Molecular dynamics simulations of oxidized and reduced Clostridium beijerinckii flavodoxin

Biophysical journal, 1994-03, Vol.66 (3), p.634-645

1994

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Computer simulation as a tool for tracing the conformational differences between proteins in solution and in the crystalline state

Journal of molecular biology, 1984-07, Vol.176 (4), p.559-564

1984

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Molecular dynamics study of the mixing and demixing of a binary Lennard-Jones fluid

Molecular physics, 1994-08, Vol.82 (5), p.1049-1062

1994

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Hydration of Proteins: A Comparison of Experimental Residence Times of Water Molecules Solvating the Bovine Pancreatic Trypsin Inhibitor with Theoretical Model Calculations

Journal of molecular biology, 1993-06, Vol.231 (4), p.1040-1048

1993

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Simulation of the Substrate Cavity Dynamics of Quercetinase

Journal of molecular biology, 2004-11, Vol.344 (3), p.725-738

2004

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A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution

Computer physics communications, 1997-12, Vol.107 (1), p.61-91

1997

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A protein structure from nuclear magnetic resonance data: lac Repressor headpiece

Journal of molecular biology, 1985-03, Vol.182 (1), p.179-182

1985

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Molecular dynamics simulations of peptide fragments from hen lysozyme: insight into non-native protein conformations

Journal of molecular biology, 1998-07, Vol.280 (4), p.703-719

1998

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The role of computer simulation techniques in protein engineering

Protein engineering, 1988-04, Vol.2 (1), p.5-13

VAN GUNSTEREN, W. F

1988

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[10] Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance data

Methods in Enzymology, 1989, Vol.177, p.204-218

1989

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Computer simulation of protein motion

Computer physics communications, 1995-09, Vol.91 (1), p.305-319

1995

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Conformational differences between α-cyclodextrin in aqueous solution and in crystalline form: A molecular dynamics study

Journal of molecular biology, 1988-09, Vol.203 (1), p.241-250

1988

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Algorithms for brownian dynamics

Molecular physics, 1982-02, Vol.45 (3), p.637-647

1982

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Simulations of proteins in water

Annals of the New York Academy of Sciences, 1986, Vol.482 (1), p.269-286

1986

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A molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution: comparison with experimental two-dimensional NMR data

Annals of the New York Academy of Sciences, 1986, Vol.482 (1), p.287-303

1986

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Stochastic dynamics for molecules with constraints: Brownian dynamics of n-alkanes

Molecular physics, 1981-09, Vol.44 (1), p.69-95

1981

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Conformational differences between α-cyclodextrin in aqueous solution and in crystalline form

Journal of molecular biology, 1988-09, Vol.203 (1), p.241-250

1988

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New insights into the structure of B2O3 glass

Journal of non-crystalline solids, 1988-07, Vol.103 (2-3), p.201-209

1988

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Structure and fluctuations of bacteriophage T4 glutaredoxin modelled by molecular dynamics

Biochemical and biophysical research communications, 1990-09, Vol.171 (2), p.581-588

1990

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Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations

An Efficient Mean Solvation Force Model for Use in Molecular Dynamics Simulations of Proteins in Aqueous Solution

Dynamical properties of bovine pancreatic trypsin inhibitor from a molecular dynamics simulation at 5000 atm

Algorithms for macromolecular dynamics and constraint dynamics

Energy-Entropy Compensation in the Transfer of Nonpolar Solutes from Water to Cosolvent/Water Mixtures

Effect of methylation on the stability and solvation free energy of amylose and cellulose fragments: a molecular dynamics study

Molecular dynamics simulations of oxidized and reduced Clostridium beijerinckii flavodoxin

Computer simulation as a tool for tracing the conformational differences between proteins in solution and in the crystalline state

Molecular dynamics study of the mixing and demixing of a binary Lennard-Jones fluid

Hydration of Proteins: A Comparison of Experimental Residence Times of Water Molecules Solvating the Bovine Pancreatic Trypsin Inhibitor with Theoretical Model Calculations

Simulation of the Substrate Cavity Dynamics of Quercetinase

A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution

A protein structure from nuclear magnetic resonance data: lac Repressor headpiece

Molecular dynamics simulations of peptide fragments from hen lysozyme: insight into non-native protein conformations

The role of computer simulation techniques in protein engineering

[10] Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance data

Computer simulation of protein motion

Conformational differences between α-cyclodextrin in aqueous solution and in crystalline form: A molecular dynamics study

Algorithms for brownian dynamics

Simulations of proteins in water

A molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution: comparison with experimental two-dimensional NMR data

Stochastic dynamics for molecules with constraints: Brownian dynamics of n-alkanes

Conformational differences between α-cyclodextrin in aqueous solution and in crystalline form

New insights into the structure of B2O3 glass

Structure and fluctuations of bacteriophage T4 glutaredoxin modelled by molecular dynamics

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