An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has ...

The Helfrich theory of membrane bending, supported by molecular dynamics simulations, is a promising approach for evaluating ...

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein ...

Ionic liquids (ILs) are a class of molten salts with a collection of exciting properties, which have been employed for ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation.

Ionic liquids (ILs) are a class of molten salts with a collection of exciting properties, which have been employed for wide-ranging applications ...

Japanese researchers have developed a simulation-based technique to measure the bending rigidity of graphene sheets with ...

Scientists at ChristianaCare’s Helen F. Graham Cancer Center & Research Institute and the University of Delaware have discovered a surprisingly simple explanation for how our bodies stay so ...

Here the authors use path-integral molecular dynamics simulation to analyze their effects on themophysical properties of 92 organic liquids across the chemical space.

Molecular dynamics simulations and ion mobility mass spectrometry reveal an anisotropic growth pathway for liraglutide oligomerization; mass spectrometry can uncover mechanisms of self-association.