Simulation input files and source data for the publication: "On the importance of statistics in molecular simulations: thermodynamics, kinetics and simulation box size"
Simulation input files for gromacs to reproduce the data from the manuscript "Scrutinizing the prote...
The data included dynamic simulation data, including PDB, RMSD and binding free energy information o...
The paper of Neil J. Bruce, Gaurav K. Ganotra, Stefan Richter, and Rebecca C. Wade "KBbox: A Toolbo...
Software accompanying the book: ‘Introduction to Molecular Simulation and Statistical Thermodynamics...
Computational simulations, akin to wetlab experimentation, are subject to statistical fluctuations. ...
Input parameters used for Gromacs simulations in publication with title: "Understanding drug skin pe...
Publication details, including instructions for authors and subscription information
SIGLEAvailable from British Library Document Supply Centre- DSC:D98277 / BLDSC - British Library Doc...
The uploaded files contain the data of the simulations presented in the figures of the publication "...
Input files and memory kernels for atomistic and coarse-grained simulations. Data files for structur...
This dataset contains input files and scripts for simulation and analysis, as would be needed to rep...
This folder contains data used in the paper "Molecular Dynamics Study of Structure and Reactions at ...
<p>Thermal data from molecular simulation (Transition and onset temperatures in °C).</p
Data for the pre-print "First-principles derivation and properties of density-functional average-ato...
<p>(a) 4 nm SNP with the enzyme. The box size is 8.0×8.0×8.0 nm<sup>3</sup>; (b) 11 nm SNP with the ...
Simulation input files for gromacs to reproduce the data from the manuscript "Scrutinizing the prote...
The data included dynamic simulation data, including PDB, RMSD and binding free energy information o...
The paper of Neil J. Bruce, Gaurav K. Ganotra, Stefan Richter, and Rebecca C. Wade "KBbox: A Toolbo...
Software accompanying the book: ‘Introduction to Molecular Simulation and Statistical Thermodynamics...
Computational simulations, akin to wetlab experimentation, are subject to statistical fluctuations. ...
Input parameters used for Gromacs simulations in publication with title: "Understanding drug skin pe...
Publication details, including instructions for authors and subscription information
SIGLEAvailable from British Library Document Supply Centre- DSC:D98277 / BLDSC - British Library Doc...
The uploaded files contain the data of the simulations presented in the figures of the publication "...
Input files and memory kernels for atomistic and coarse-grained simulations. Data files for structur...
This dataset contains input files and scripts for simulation and analysis, as would be needed to rep...
This folder contains data used in the paper "Molecular Dynamics Study of Structure and Reactions at ...
<p>Thermal data from molecular simulation (Transition and onset temperatures in °C).</p
Data for the pre-print "First-principles derivation and properties of density-functional average-ato...
<p>(a) 4 nm SNP with the enzyme. The box size is 8.0×8.0×8.0 nm<sup>3</sup>; (b) 11 nm SNP with the ...
Simulation input files for gromacs to reproduce the data from the manuscript "Scrutinizing the prote...
The data included dynamic simulation data, including PDB, RMSD and binding free energy information o...
The paper of Neil J. Bruce, Gaurav K. Ganotra, Stefan Richter, and Rebecca C. Wade "KBbox: A Toolbo...
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