lmoffatt / macro_dr

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conceptual error in Allosteric models, schemes with tertiary interactions are wrong (schemes 8, 11 and 12 and 15) #201

Closed lmoffatt closed 2 weeks ago

lmoffatt commented 2 weeks ago

there are two ways to go from state 111010 to 111110

you can go to 111110 or to 111011. Both states are equivalent, but the transition is not.

In the first we use RBR_0 and in the second RBR_3,

Current logic of Conformational_model does not have the capacity to express a kinetic rate that is the sum of two different kinetic rates, so an intervention has to be made to allow for such possibility.

lmoffatt commented 2 weeks ago

1st we would change the struct Conformational_transition so instead of having fields Conformational_interactions_domain_state and Conformational_interactions_domain_state, we would create a new struct Conformational_interactions_transition_state that consist of a map<Conformational_interactions_domain_state,Conformational_interactions_domain_state>