Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl ...
A machine-learning breakthrough could lift the veil on Earth’s early history—and supercharge the search for alien life ...
The understanding of complex many-body dynamics in laser-driven polyatomic molecules is crucial for any attempt to steer ...
ToxPredictor accurately predicts drug induced liver injury (DILI) to offer a valuable “go/no-go” tool in clinical decision making.
When ultraviolet light hits ice—whether in Earth's polar regions or on distant planets—it triggers a cascade of chemical ...
X-ray “molecular movies” reveal how intense lasers tear apart C60 molecules and push us closer to directing chemical reactions with light.
Using a machine learning technique that compares molecular fingerprints left behind by living organisms, researchers have ...
The authors present an important multi-scale computational platform, which aims to automate the workflow for coarse-grained simulations of biomolecules in the framework of the popular MARTINI model.
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