News

Cutting to the core of how 3D structure shapes gene activity
In biology textbooks and beyond, the human genome and DNA therein typically are taught in only one dimension. While it can be ...
IEEE2d
Multi-Modal Molecular Representation Learning via Structure Awareness ...
Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, ...
University of California, Davis2d
Molecular Simulations Show Graphite ‘Hijacks’ Diamond Formation Through Unexpected Crystallization Pathways
The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the ...
C&EN2d
Molecular Structure and Dynamics in Thin Water Films at Metal Oxide ...
All-atom equilibrium molecular dynamics simulations were employed to investigate the structural and dynamical properties of interfacial water on the magnesium oxide surface. The solid support was ...
Molecular simulations uncover how graphite emerges where diamond should form, challenging old assumptions
The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the ...
C&EN3d
Dissociation of HCl into Ions on Wet Hydroxylated (0001) α-Quartz
The acidification of surfaces in the natural and built environments is important to atmospheric science because the process can enhance chemistry at surfaces and increase the release of highly ...