Cornell researchers have found a new and potentially more accurate way to see what proteins are doing inside living cells - using the cells' own components as built-in sensors.

Researchers in Korea have developed an artificial intelligence (AI) technology that predicts molecular properties by learning ...

While refinement improves the correlation between the model and the electron density map, it may inadvertently increase strain without careful calibration of geometry weights and ... heterogeneity ...

A research team has synthesized three-dimensionally shaped molecules containing an internal twist and shown that they possess ...

Finding target molecules with specific chemical properties plays a decisive role in drug development. We proposed GEOM-CVAE, a constrained variational autoencoder based on geometric representation for ...

A new platform for engineering chiral electron pathways offers potential fresh insights into a quantum phenomenon discovered by chemists—and exemplifies how the second quantum revolution is fostering ...

The effect of asymmetric lateral linking groups on the electronic transport is investigated in the biphenyl molecule-based device with gold electrodes with the framework of density functional theory ...

The molecular geometries of VCl2 and VCl3 have been determined by computations and gas-phase electron diffraction (ED). The ED study is a reinvestigation of the previously published analysis for VCl2.

While the synergistic interaction between the quaternary ammonium head group of CTAB and the π-electron cloud of aromatic amino acid ester is influenced by the relative orientation and the unusual ...