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Table 2 Parameters used in the model (part 2a)

From: The emergence of DNA in the RNA world: an in silico simulation study of genetic takeover

Probabilities

Descriptions

Values

P AD

Amphiphile decaying into its precursor (out of membrane)

5 × 10−4

P ADM

Amphiphile decaying into its precursor within membrane

5 × 10−5

P AF

Amphiphile forming from its precursor (not catalyzed)

5 × 10−4

P AFR

Amphiphile forming from its precursor (catalyzed by Asr)

0.5

ᅟP AJM

Amphiphile joining membrane

0.9

ᅟP ALM

Amphiphile leaving membrane

5 × 10−5

ᅟP APP

Amphiphile precursor permeating membrane

0.05

ᅟP AT

Nucleic acid template attracting momomers/oligomers by base-pairing

0.2

ᅟP BBR

Phosphodiester bond breaking in an RNA chain

2 × 10−6

P CB

Protocell breaking

1 × 10−5

ᅟP CD

Protocell dividing

0.005

ᅟP CF

Protocell fusing

5 × 10−4

ᅟP CTT

A circular nucleic acid chain turning to a template

0.9

ᅟP EL

End-to-end ligation of a nucleic acid chain (cyclization)

1 × 10−7

ᅟP FLR

Ligating with false base-pairing on template (by Rep)

0.1

ᅟP FPRR

False base-pairing when RNA attracting nucleotides/RNA

0.01

ᅟP LTT

A linear nucleic acid chain turning to a template

0.01

ᅟP MC

Movement of a protocell

0.05

ᅟP MF

Membrane forming

0.1

ᅟP MV

Movement of a (deoxy/)nucleotide, amphiphile or 2their precursors

0.5

ᅟP ND

Nucleotide decaying into its precursor

5 × 10−4

ᅟP NDE

Nucleotide decaying into its precursor at RNA’s chain end

1 × 10−5

ᅟP NF

Nucleotide forming from its precursor (not catalyzed)

5 × 10−4

ᅟP NFR

Nucleotide forming from its precursor (catalyzed by Nsr)

0.5

ᅟP NPD

Nucleotide precursor decaying into its precursor

5 × 10−4

ᅟP NPF

Nucleotide precursor forming from its precursor (not catalyzed)

5 × 10−4

ᅟP NPFR

Nucleotide precursor forming from its precursor (catalyzed by Npsr)

0.5

ᅟP NPP

(Deoxy/)nucleotide precursor permeating membrane

0.01

ᅟP NPPP

(Deoxy/)nucleotide precursor’s precursor permeating membrane

0.2

ᅟP RB

Rep binding onto a nucleic acid template

0.9

ᅟP RD

Rep dropping from a nucleic acid template

0.9

ᅟP RL

Random ligation of RNA with RNA or that of DNA with DNA

1 × 10−7

ᅟP SP

Separation of a base pair

0.5

ᅟP TL

Template-directed ligation (not catalyzed)

5 × 10−4

ᅟP TLR

Template-directed ligation (catalyzed by Rep)

0.5

Others

Descriptions

Values

ᅟF DE

Factor for the effect of Donnan’s equilibrium

5

ᅟF DO

Factor for the degradation/decay of molecules out of protocells

100

ᅟF IB

Factor for intermediate RNA breaking (at sites between genes)

1000

ᅟF OP

Factor for the effect of osmotic pressure

5

L AM

Lower limit of amphiphiles to form protocell membrane

600

ᅟN

The system surface is defined as an N × N grid.

60

ᅟT APB

Total amphiphile precursors introduced in the beginning

1.2 × 105

ᅟT NPPB

Total nucleotide precursors’ precursors introduced in the beginning

1.8 × 105

  1. aThis part of parameter list is derived directly from the parameter list of the previous model [15]. P BBR was originally named P BB , P FPRR originally P FP , P CTT originally P CRTT , and P LTT originally P LRTT . To suit the aim of the present model, into which DNA is introduced,the roles of P AT , P CTT , P EL , P LTT , P MV , P NPP , P NPPP , and P RL have been modified (see “Descriptions”), and the “working values” of P AFR , P CD , P FLR , P NDE , P NFR , P NPFR , P TLR , F DO and F IB are adjusted to some extent. The values of N, T NPPB and T APB are enlarged to increase the scale of the model system, and thus the dynamics of the present model system is more robust against casual events and bears a better statistical property