Discover open access scientific publications

Search, annotate, share and cite publications

Publications by Borys Szefczyk

Parameterization and Optimization of the Menthol Force Field for Molecular Dynamics Simulations

Journal of Molecular Modeling

Organic Chemistry

Theoretical Chemistry

Inorganic Chemistry

Computer Science Applications

Computational Theory

English

The Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like Kinases

International Journal of Molecular Sciences

Organic Chemistry

Molecular Biology

Theoretical Chemistry

Inorganic Chemistry

Computer Science Applications

English

Related publications

Molecular Dynamics Simulations of Guanine Quadruplex Loops: Advances and Force Field Limitations

Biophysical Journal

English

Electrostatic Force Driven Molecular Dynamics Simulations

Biophysical Journal

English

A Polarizable Reactive Force Field for Water to Enable Molecular Dynamics Simulations of Proton Transport

Journal of Chemical Physics

Theoretical Chemistry

English

Molecular Dynamics Simulations of HMX Crystal Polymorphs Using a Flexible Molecule Force Field

AIP Conference Proceedings

English

Insights Gained From Refined Force-Field for Pure and Aqueous Ethylene Glycol Through Molecular Dynamics Simulations

English

Systematic Parameterization of Lignin for the Charmm Force Field

Biophysical Journal

English

Probing the Conformational Dynamics of Butyrophilin 3A1 Using Atomic Force Microscopy and Molecular Dynamics Simulations

Biophysical Journal

English

Prediction of Cyclohexane-Water Distribution Coefficients for the SAMPL5 Data Set Using Molecular Dynamics Simulations With the OPLS-AA Force Field

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization

English