Add to ORKGIn this thesis we present an exploration system tailored for very large molecular simulations which may involve several ligands. This system integrates a 3D view and enhanced 2D charts that work cohesively in facilitating the acquisition of important high-level knowledge
Towards Frameworks for Large Scale Ensemble-based Execution Patterns by Vivekanandan Balasubramani...
This dissertation presents three research projects on novel methods in computational bio- physics. E...
Molecular dynamics (MD) simulation, a standard tech-nique used to study the dynamical properties of ...
In this thesis we present an exploration system tailored for very large molecular simulations which ...
The research on molecular dynamics produces thousands of datasets pertaining the behavior of molecul...
Molecular Dynamics (MD) is a computer simulation method that studies the physical movements of atom...
The analysis of protein-ligand interactions is a time-intensive task. Researchers have to analyze mu...
Here we provide an introduction and overview of current progress in the field of molecular simulatio...
Molecular simulations are commonly used in physics, chemistry, biology, material science, engineerin...
In many cases, protein reactions with other small molecules (ligands) occur in a deeply buried activ...
Molecular dynamics has established itself over the last years as a strong tool for structure-based m...
We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular d...
Molecular dynamics simulations are computer simulations of the physical movements of atoms and molec...
International audienceThe amount of data generated by molecular dynamics simulations of large molecu...
The analysis of protein-ligand interactions is complex because of the many factors at play. Most cur...
Towards Frameworks for Large Scale Ensemble-based Execution Patterns by Vivekanandan Balasubramani...
This dissertation presents three research projects on novel methods in computational bio- physics. E...
Molecular dynamics (MD) simulation, a standard tech-nique used to study the dynamical properties of ...
In this thesis we present an exploration system tailored for very large molecular simulations which ...
The research on molecular dynamics produces thousands of datasets pertaining the behavior of molecul...
Molecular Dynamics (MD) is a computer simulation method that studies the physical movements of atom...
The analysis of protein-ligand interactions is a time-intensive task. Researchers have to analyze mu...
Here we provide an introduction and overview of current progress in the field of molecular simulatio...
Molecular simulations are commonly used in physics, chemistry, biology, material science, engineerin...
In many cases, protein reactions with other small molecules (ligands) occur in a deeply buried activ...
Molecular dynamics has established itself over the last years as a strong tool for structure-based m...
We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular d...
Molecular dynamics simulations are computer simulations of the physical movements of atoms and molec...
International audienceThe amount of data generated by molecular dynamics simulations of large molecu...
The analysis of protein-ligand interactions is complex because of the many factors at play. Most cur...
Towards Frameworks for Large Scale Ensemble-based Execution Patterns by Vivekanandan Balasubramani...
This dissertation presents three research projects on novel methods in computational bio- physics. E...
Molecular dynamics (MD) simulation, a standard tech-nique used to study the dynamical properties of ...