Then set the msms_bin, apbs_bin, pdb2pqr_bin, and multivalue_bin path directly in your ~/.bashrc, or just set them in the scripts when creating the surface file from the pdb file. Having successfully ...

As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials ...

A research team led by Prof. Wang Zhenyang at the Hefei Institutes of Physical Science of the Chinese Academy of Sciences has ...

The technology, called Single-Molecule Atomic-Resolution Time-resolved Electron Microscopy (SMART-EM for short), lets ...

Two materials physicists at The University of Sydney have found a possible explanation for the huge amount of molecular ...

Researchers combined core-shell rubber particles with ZnO nanoparticles to develop tougher, more heat-resistant epoxy ...

Surface chemistry is the study of chemical reactions at surfaces and ... angle — can be modulated through tuning the monomer structure. Metallocene molecules are known to fragment upon surface ...

Nasa's Perseverance rover discovered a skull-shaped rock, dubbed "Skull Hill," in Mars' Jezero Crater, standing out against ...

Often known as the central science, it is a creative discipline chiefly concerned with atomic and molecular structure and its change, for instance through chemical reactions.

Such molecules would be suited to acting as quantum bits, or qubits, the basic unit of information in quantum systems. But ...

The chemical industry is undergoing a pivotal transformation as it moves toward greener, more sustainable practices.