Molecular dynamics (MD) simulations are used for the study of non-thermal-equilibrium reactions that take place on the substrate surface during plasma etching processes. In MD sim...
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
The accessible surface of a macromolecule is a significant determinant of its action. The interaction between biomolecules or protein-ligand is dependent on their surfaces rather ...
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Prot...
The continuous minituarization of integrated circuits may reach atomic scales in a couple of decades. Some researchers have already built simple computation engines by manipulatin...