SMD: Visual Steering of Molecular Dynamics for Protein Design

Authors:
Jonathan Leech;Jan F. Prins;Jan Hermans
Affiliations:
-;-;-
Venue:
IEEE Computational Science & Engineering
Year:
1996

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Abstract

SMD, a system for interactively steering molecular dynamics calculations of protein molecules, includes computation, visualization, and communication components. Biochemists can "tug" molecules into different shapes by specifying external forces in the graphical interface, which are added to internal forces representing atomic bonds and nonbonded interactions.