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The GROMOS software for biomolecular simulation: GROMOS05

Journal of computational chemistry, 2005-12, Vol.26 (16), p.1719-1751

2005

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A Comparison of Methods to Compute the Potential of Mean Force

Chemphyschem, 2007-01, Vol.8 (1), p.162-169

2007

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Biomolecular Modeling: Goals, Problems, Perspectives

Angewandte Chemie (International ed.), 2006-06, Vol.45 (25), p.4064-4092

2006

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Exact Distances and Internal Dynamics of Perdeuterated Ubiquitin from NOE Buildups

Journal of the American Chemical Society, 2009-12, Vol.131 (47), p.17215-17225

2009

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Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models

Chemphyschem, 2007-02, Vol.8 (3), p.452-461

2007

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Protein under pressure: Molecular dynamics simulation of the arc repressor

Proteins, structure, function, and bioinformatics, 2006-10, Vol.65 (1), p.136-144

2006

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Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution

Physical chemistry chemical physics : PCCP, 2004-01, Vol.6 (4), p.697-702

2004

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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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On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (12), p.1934-1941

2009

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Catalytic mechanism of cyclophilin as observed in molecular dynamics simulations: Pathway prediction and reconciliation of X‐ray crystallographic and NMR solution data

Protein science, 2006-11, Vol.15 (11), p.2544-2551

2006

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Interpreting NMR Data for β-Peptides Using Molecular Dynamics Simulations

Journal of the American Chemical Society, 2005-10, Vol.127 (41), p.14320-14329

2005

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Pathway dependence of the efficiency of calculating free energy and entropy of solute–solute association in water

Chemical physics, 2006-11, Vol.330 (3), p.410-416

2006

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Enthalpy−Entropy Compensation in the Effects of Urea on Hydrophobic Interactions

The journal of physical chemistry. B, 2006-07, Vol.110 (26), p.12852-12855

2006

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Simulation of an all-β3-icosapeptide containing the 20 proteinogenic side chains: Effect of temperature, pH, counterions, solvent, and force field on helix stability

Biopolymers, 2006-12, Vol.83 (6), p.636-645

2006

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Simulation of an all- phi 3-icosapeptide containing the 20 proteinogenic side chains: Effect of temperature, pH, counterions, solvent, and force field on helix stability

Biopolymers, 2006-12, Vol.83 (6), p.636-645

2006

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Simulation of an all-beta 3-icosapeptide containing the 20 proteinogenic side chains: effect of temperature, pH, counterions, solvent, and force field on helix stability

Biopolymers, 2006-12, Vol.83 (6), p.636-645

2006

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

Chemphyschem, 2005-06, Vol.6 (6), p.1010-1010

2005

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New developments in Monte Carlo/quantum mechanics methodology. The solvatochromism of β-carotene in different solvents

Advances in Quantum Chemistry, 2002, Vol.41, p.161-183

2002

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Biomolekulare Modellierung: Ziele, Probleme, Perspektiven

Angewandte Chemie, 2006-06, Vol.118 (25), p.4168-4198

2006

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Interplay between computer simulations and experimental data in physical chemistry and structural biology: Testing, interpretation and prediction

Trzesniak, Daniel R F

2006

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Interplay between computer simulations and experimental data in physical chemistry and structural biology: Testing, interpretation and prediction

Trzesniak, Daniel R. F

2006

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Biomolekulare Modellierung: Ziele, Probleme, Perspektiven

Angewandte Chemie, 2006-06, Vol.118 (25), p.4168-4198

2006

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Quantum chemical studies of the spectroscopic properties of the E-64 protease inhibitor

Journal of molecular structure. Theochem, 2002-05, Vol.585 (1-3), p.129-141

2002

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Are cavum septum pellucidum abnormalities more common in schizophrenia spectrum disorders? A systematic review and meta-analysis

Schizophrenia research, 2011-01, Vol.125 (1), p.1-12

2011

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The GROMOS software for biomolecular simulation: GROMOS05

A Comparison of Methods to Compute the Potential of Mean Force

Biomolecular Modeling: Goals, Problems, Perspectives

Exact Distances and Internal Dynamics of Perdeuterated Ubiquitin from NOE Buildups

Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models

Protein under pressure: Molecular dynamics simulation of the arc repressor

Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution

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

On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models

Catalytic mechanism of cyclophilin as observed in molecular dynamics simulations: Pathway prediction and reconciliation of X‐ray crystallographic and NMR solution data

Interpreting NMR Data for β-Peptides Using Molecular Dynamics Simulations

Pathway dependence of the efficiency of calculating free energy and entropy of solute–solute association in water

Enthalpy−Entropy Compensation in the Effects of Urea on Hydrophobic Interactions

Simulation of an all-β3-icosapeptide containing the 20 proteinogenic side chains: Effect of temperature, pH, counterions, solvent, and force field on helix stability

Simulation of an all- phi 3-icosapeptide containing the 20 proteinogenic side chains: Effect of temperature, pH, counterions, solvent, and force field on helix stability

Simulation of an all-beta 3-icosapeptide containing the 20 proteinogenic side chains: effect of temperature, pH, counterions, solvent, and force field on helix stability

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

New developments in Monte Carlo/quantum mechanics methodology. The solvatochromism of β-carotene in different solvents

Biomolekulare Modellierung: Ziele, Probleme, Perspektiven

Interplay between computer simulations and experimental data in physical chemistry and structural biology: Testing, interpretation and prediction

Interplay between computer simulations and experimental data in physical chemistry and structural biology: Testing, interpretation and prediction

Biomolekulare Modellierung: Ziele, Probleme, Perspektiven

Quantum chemical studies of the spectroscopic properties of the E-64 protease inhibitor

Are cavum septum pellucidum abnormalities more common in schizophrenia spectrum disorders? A systematic review and meta-analysis

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