The past decade has witnessed an increasing interaction between experiment and theory in
the field of molecular spectroscopy. On the computational side, ongoing developments of …

Visualization plays a crucial role in molecular and structural biology. It has been successfully
applied to a variety of tasks, including structural analysis and interactive drug design. While …

The industry's transition from three-dimensional (3D) glasses to virtual reality (VR) headsets
has left modelers stranded without hardware supply, since walking around and waving arms …

Structural properties of molecules are of primary concern in many fields. This report provides
a comprehensive overview on techniques that have been developed in the fields of …

Abstract The role of Virtual Reality (VR) tools in molecular sciences is analyzed in this
contribution through the presentation of the Caffeine software to the quantum chemistry …

Molecular visualization is fundamental in the current scientific literature, textbooks and
dissemination materials. It provides an essential support for presenting results, reasoning on …

Molecular graphics systems are visualization tools which, upon integration into a 3D
immersive environment, provide a unique virtual reality experience for research and …

Many of the continuing scientific advances achieved through computational biology are
predicated on the availability of ongoing increases in computational power required for …

All-atom molecular dynamics simulations of biomolecules provide a powerful tool for
exploring the structure and dynamics of large protein complexes within realistic cellular …

Conversion of sunlight into chemical energy, namely photosynthesis, is the primary energy
source of life on Earth. A visualization depicting this process, based on multiscale …