Introduction to visualizing molecular dynamics

Main purpose of visualizing molecular dynamics and atomic structures: enable chemical engineering and chemistry scientists, researchers, and engineers to visualize their data to help them understand their chemical structure and glean scientific insight from it.

Diverse applications of visualizing molecular dynamics and chemical structures in chemistry, chemical engineering, materials science and engineering, pharmacology, biology, bioengineering, etc.

General idea of visualizing molecular dynamics and chemical structures is converting numeric tables into plots, graphs, and rendering with strong attention to underlying concept behind the data:

Two different molecular structures:

  • Static chemical and atomic structures.

  • Dynamics chemical and atomic structured extracted from molecular dynamics simulations.

Molecular dynamics simulation of ubiquitin protein.

Static chemical structure of 6ORV protein