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Bridging the gap between modellers and biologists: Systems Biology Graphical Notation & CellDesigner. April 24th, 2012 Richard Adams [email protected] The challenge of reconstructing complex systems.

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Bridging the gap between modellers and biologists systems biology graphical notation

Bridging the gap between modellers and biologists: Systems Biology Graphical Notation &

CellDesigner

April 24th, 2012

Richard Adams

[email protected]


The challenge of reconstructing complex systems

The challenge of reconstructing complex systems

"The greatest challenge today, not just in cell biology and ecology but in all of science, is the accurate and complete description of complex systems.

Scientists have broken down many kinds of systems. They think they know most of the elements and forces.

The next task is to reassemble them, at least in mathematical models that capture the key properties of the entire ensembles.”

E.O. Wilson –’Consilience’ 1998

the synthesis of knowledge from different specialized fields of human endeavor


There s a lot of information

There’s a lot of information…

  • PubMed has > 20 million citations dating 1860-2012.

  • Growing at 2 per minute

  • How to organise information suitable for modelling?


Diagrams can help

Diagrams can help….


But diagrams are of uncertain utility

..but diagrams are of uncertain utility


Bridging the gap between modellers and biologists systems biology graphical notation

  • Plk1 activity regulates APC/C in multiple ways to promote mitotic progression. In early mitosis, Plk1 activity triggers the degradation of Emi1 via SCFß-TRCP, a prerequisite for the generation of an active APC/CCdc20 complex. However, in case of an activated spindle assembly checkpoint, Mad2 and/or BubR1 bind to Cdc20, thereby inhibiting the APC/C. Plk1 acts antagonistically to the spindle checkpoint and regulates the kinetochore localization of Mad2. Silencing of the spindle checkpoint enables the formation of active APC/CCdc20 and the degradation of cyclin B1. When Cdc20 is replaced by Cdh1, additional substrates, like Cdc20 itself and Plk1, are degraded. Finally, active APC/CCdh1 allows mitotic exit and entry into the subsequent G1 phase


What s wrong with drawing my diagrams in powerpoint

What’s wrong with drawing my diagrams in Powerpoint?

  • Most pathway diagrams are :

    • Ambiguous

    • Not amenable to computational analysis

    • Not interpretable without figure legend.

    • Use ‘one-off’ graphical symbols that must be learned

    • Hard to disseminate (colour, line-width, dashes).


What we really need is

What we really need is …


Bridging the gap between modellers and biologists systems biology graphical notation

Cancer Cell - 2002, 2, 179-182


Sbgn goals

SBGN goals

  • A single diagram has a single meaning.

  • Self-explanatory.

  • Allow connectivity/ network analysis.

  • To cope with missing/incomplete information.

  • Processes to be drawn at different levels of granularity.

  • Unrestricted in use.

  • Not dependent on single software product.

  • Can be drawn by hand or printed without loss of information.


Three types of diagram

Three types of diagram

  • Process Description

  • Entity Relationship

  • Activity Flow


Bridging the gap between modellers and biologists systems biology graphical notation

Mitotic exit in SBGN-PD


Bridging the gap between modellers and biologists systems biology graphical notation

Entity relationship diagrams


Bridging the gap between modellers and biologists systems biology graphical notation

Activity flow diagrams


Bridging the gap between modellers and biologists systems biology graphical notation

PD

ER

AF


Tutorial using celldesigner to create and edit models

Tutorial – using CellDesigner to create and edit models.

  • CellDesigner overview

  • Circadian clock model drawing and modelling

  • ‘Exit from mitosis diagram’.

  • ‘Bring your own’.

Goals:

Create a kinetic model in CellDesigner

Develop a working knowledge of SBGN-PD

Learn to use CellDesigner pathway editing/simulation software


Bridging the gap between modellers and biologists systems biology graphical notation

CellDesigner <-> SBML

<reaction id="Reac_1" name="v1" reversible="false" fast="false">

<listOfReactants>

<speciesReference species="A"/>

</listOfReactants>

<listOfProducts>

<speciesReference species="B"/>

</listOfProducts>

<kineticLaw>

<math xmlns="http://www.w3.org/1998/Math/MathML"> <apply>

<apply>

<times/>

<ci> k1 </ci>

<ci> A </ci>

</apply>

</math>

</kineticLaw>

</reaction>

A

B


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