Saturday, June 27, 2015

Molecular Visualization Principles #1-3

As a part of my research work, we are developing some principles, guidelines, or considerations for visualizing molecules in biological systems. It's hard to know exactly how to phrase and frame these, because they are not hard and fast rules; however, they may be helpful in creating more accurate depictions of biomolecules.

Each principle is presented as a short pair of animations. The Treatment A's do not adhere to the principle whereas the Treatment B's do. So far, I have created examples to demonstrate three of the principles, with more coming.

Principle 01 is "Leave some behind". It conveys the idea that typically not all molecules are consumed in a process. For example, there may be more subunits present in the environment than ultimately bind together in a biological complex. This example shows a virus capsid assembling. Note that many of the actual mechanics of capsid assembly (i.e. ideas that may constitute other principles) are ignored or simplified for the sake of clarity. One might declare some irony or hypocrisy here, however it is important that we build the framework for the principles individually before considering how they might be combined in real-world visualization cases.





Principle 02 is "Use Random Walks". It conveys the idea that molecules move randomly due to collisions in a crowded environment. For example, an Arp2/3 complex moves erratically before binding to an actin filament.





Principle 03 is "Add Non-binding Collisions". It conveys the idea that molecules might encounter each other with unproductive orientations and conformations multiple times before a successful binding event occurs. For example, Sos and Ras might collide a number of times before their orientations result in tight binding.



I'll be announcing an exciting new set of content very soon, so check back in a couple of days for that.

Later,
Stuart

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