Visualizing energy landscapes with metric disconnectivity graphs
Related Experiment Video
Updated: Apr 29, 2026

Author Spotlight: Advancing Large-Scale Neural Dynamics Through HD-MEA Technology
Published on: March 8, 2024
Lewis C Smeeton1, Mark T Oakley, Roy L Johnston
1School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT, United Kingdom.
Abstract:
The visualization of multidimensional energy landscapes is important, providing insight into the kinetics and thermodynamics of a system, as well the range of structures a system can adopt. It is, however, highly nontrivial, with the number of dimensions required for a faithful reproduction of the landscape far higher than can be represented in two or three dimensions. Metric disconnectivity graphs provide a possible solution, incorporating the landscape connectivity information present in disconnectivity graphs with structural information in the form of a metric. In this study, we present a new software package, PyConnect, which is capable of producing both disconnectivity graphs and metric disconnectivity graphs in two or three dimensions. We present as a test case the analysis of the 69-bead BLN coarse-grained model protein and show that, by choosing appropriate order parameters, metric disconnectivity graphs can resolve correlations between structural features on the energy landscape with the landscapes energetic and kinetic properties.
Related Concept Videos
Energy Diagrams - II
The point in the energy diagram at which the system’s potential energy is the lowest is known as the local minima. The system tends to stay in this position indefinitely unless acted upon by a net force. The slope of the potential energy diagram at the local minima is zero, indicating that zero net force is acting on the system. The...
Energy Diagrams - I
Take the example of a skater on a parabolic ramp. The potential energy at different points along the ramp will be proportional to the height of the ramp, which varies quadratically with the horizontal position on the ramp. As the skater moves down the ramp from the highest position,...
Energy Associated With a Charge Distribution
Energy Line and Hydraulic Gradient Line
pV-Diagrams
Vector Algebra: Graphical Method
We use the laws of geometry to construct resultant vectors, followed by trigonometry to find vector magnitudes and directions. For a geometric construction of the sum of two vectors in a plane, we follow the parallelogram rule. Suppose two vectors are at arbitrary positions. Translate either one of...

