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The first practical use of molecular graphics was a simple display of the protein myoglobin using a wireframe representation in 1966 by Cyrus Levinthal and Robert Langridge working at Project MAC. [7] Among the milestones in high-performance molecular graphics was the work of Nelson Max in "realistic" rendering of macromolecules using ...
After his passing, the Molecular Graphics and Modelling Society renamed its annual prize for the best use of graphics in the Journal of Molecular Graphics and Modelling as the Jeffry D. Madura Memorial Graphics Prize in his honor. [10] [11]
Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. [2] VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects.
Ribbon diagrams are simple yet powerful, expressing the visual basics of a molecular structure (twist, fold and unfold). This method has successfully portrayed the overall organization of protein structures, reflecting their three-dimensional nature and allowing better understanding of these complex objects both by expert structural biologists ...
Saric M. "Free Molecular Modelling Programs =". A rather detailed, objective, and technical assessment of about 20 tools. "PDB list of molecular graphics tools". "Index of Molecular Visualization Resources". "Molecular Visualization Resources by Eric Martz"
On a list of the 1000 most cited chemists, [2] Francl is a member of the editorial board for the Journal of Molecular Graphics and Modelling, active in the American Chemical Society and the author of The Survival Guide for Physical Chemistry.
Q is a computer software package for molecular dynamics (MD) simulation (current release: Q6). Unlike other MD codes, it has specialized since its conception (Marelius et al. 1998) on three specific types of free energy calculations.
The first version of the WHAT IF software was developed by Gert Vriend in 1987 at the University of Groningen, Groningen, Netherlands. [2] Most of its development occurred during 1989–2000 at the European Molecular Biology Laboratory (EMBL) in Heidelberg, Germany.