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Observation of an A-DNA to B-DNA transition in a nonhelical nucleic acid hairpin molecule using molecular dynamics

Biophysical journal, 1997-11, Vol.73 (5), p.2702-2710

1997

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The Open Nucleotide Pocket of the Profilin/Actin X-Ray Structure Is Unstable and Closes in the Absence of Profilin

Biophysical journal, 2006-04, Vol.90 (7), p.2445-2449

2006

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Free Energy Calculations by Computer Simulation

Science (American Association for the Advancement of Science), 1987-05, Vol.236 (4801), p.564-568

1987

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Probing Protein Stability with Unnatural Amino Acids

Science (American Association for the Advancement of Science), 1992-06, Vol.256 (5065), p.1798-1802

1992

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Calculation of protein tertiary structure

Journal of molecular biology, 1976-10, Vol.106 (4), p.983-994

1976

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Water-water and water-ion potential functions including terms for many body effects

The Journal of chemical physics, 1985-01, Vol.83 (6), p.2923-2933

1985

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State of the art in studying protein folding and protein structure prediction using molecular dynamics methods

Journal of molecular graphics & modelling, 2001-01, Vol.19 (1), p.146-149

2001

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Free Energy of Association of the K+:18-Crown-6 Complex in Water: A New Molecular Dynamics Study

Journal of physical chemistry (1952), 1995-01, Vol.99 (1), p.55-58

1995

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Understanding the thermodynamic stability of an RNA hairpin and its mutant

Biophysical journal, 1996-04, Vol.70 (4), p.1940-1948

1996

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Monte Carlo simulation studies of the solvation of ions. 2. Glycine zwitterion

Journal of molecular structure. Theochem, 1988-06, Vol.166, p.385-392

1988

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Application of molecular dynamics and free energy perturbation methods to metalloporphyrin-ligand systems. 1. CO and dioxygen binding to four heme systems

Journal of the American Chemical Society, 1989-08, Vol.111:16

1989

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Time Evolution of NMR Proton Chemical Shifts of an RNA Hairpin during a Molecular Dynamics Simulation

Journal of the American Chemical Society, 1996-12, Vol.118 (50), p.12812-12820

1996

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Chemical shifts in paramagnetic gas mixtures

Molecular physics, 1972-01, Vol.23 (1), p.65-74

1972

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A water dimer potential based on ab initio calculations using Morokuma component analyses

The Journal of chemical physics, 1985, Vol.83 (8), p.4033-4040

1985

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Protein-ligand dynamics: A 96 picosecond simulation of a myoglobin-xenon complex

Journal of molecular biology, 1988-01, Vol.199 (1), p.195-211

1988

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Computational studies of the interaction of myoglobin and xenon

Journal of molecular biology, 1986-11, Vol.192 (2), p.443-456

1986

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Protein-ligand dynamics

Journal of molecular biology, 1988-01, Vol.199 (1), p.195-211

1988

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Macrocyclic receptor chemistry: Experimental and theoretical studies on molecular recognition

Journal of molecular structure, 1983, Vol.93, p.153-165

1983

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Modeling complex molecular interactions involving proteins and DNA

Annals of the New York Academy of Sciences, 1986, Vol.482 (1), p.234-244

1986

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Conformation of the progesterone side chain: resolution of the apparent conflict between x-ray data and force-field calculations using MM2

Journal of the American Chemical Society, 1982-06, Vol.104 (13), p.3745-3747

1982

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Free energy calculations on the relative solvation free energies of benzene, anisole, and 1,2,3-trimethoxygenzene: Theoretical and experimental analysis of aromatic methoxy solvation

Journal of physical chemistry (1952), 1991-08, Vol.95:17

1991

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The long range intermolecular potential of H 2 -H 2

Molecular physics, 1972-07, Vol.24 (1), p.235-239

1972

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Molecular mechanisms of glucocorticoid hormone action

Journal of molecular and cellular cardiology, 1982-01, Vol.14, p.43-48

1982

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The long range intermolecular potential of H2-H2

Molecular physics, 1972-01, Vol.24 (1), p.235-239

1972

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Macrocyclic receptor chemistry: Experimental and theoretical studies on molecular recognition

Journal of molecular structure. Theochem, 1983, Vol.93, p.153-165

1983

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Observation of an A-DNA to B-DNA transition in a nonhelical nucleic acid hairpin molecule using molecular dynamics

The Open Nucleotide Pocket of the Profilin/Actin X-Ray Structure Is Unstable and Closes in the Absence of Profilin

Free Energy Calculations by Computer Simulation

Probing Protein Stability with Unnatural Amino Acids

Calculation of protein tertiary structure

Water-water and water-ion potential functions including terms for many body effects

State of the art in studying protein folding and protein structure prediction using molecular dynamics methods

Free Energy of Association of the K+:18-Crown-6 Complex in Water: A New Molecular Dynamics Study

Understanding the thermodynamic stability of an RNA hairpin and its mutant

Monte Carlo simulation studies of the solvation of ions. 2. Glycine zwitterion

Application of molecular dynamics and free energy perturbation methods to metalloporphyrin-ligand systems. 1. CO and dioxygen binding to four heme systems

Time Evolution of NMR Proton Chemical Shifts of an RNA Hairpin during a Molecular Dynamics Simulation

Chemical shifts in paramagnetic gas mixtures

A water dimer potential based on ab initio calculations using Morokuma component analyses

Protein-ligand dynamics: A 96 picosecond simulation of a myoglobin-xenon complex

Computational studies of the interaction of myoglobin and xenon

Protein-ligand dynamics

Macrocyclic receptor chemistry: Experimental and theoretical studies on molecular recognition

Modeling complex molecular interactions involving proteins and DNA

Conformation of the progesterone side chain: resolution of the apparent conflict between x-ray data and force-field calculations using MM2

Free energy calculations on the relative solvation free energies of benzene, anisole, and 1,2,3-trimethoxygenzene: Theoretical and experimental analysis of aromatic methoxy solvation

The long range intermolecular potential of H 2 -H 2

Molecular mechanisms of glucocorticoid hormone action

The long range intermolecular potential of H2-H2

Macrocyclic receptor chemistry: Experimental and theoretical studies on molecular recognition

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