computer simulation of enzyme kinetics noppol leksawasdi [email protected]
TRANSCRIPT
Computer simulation of Computer simulation of enzyme kineticsenzyme kinetics
Noppol LeksawasdiNoppol Leksawasdi
[email protected]@hotmail.com
What is VBAWhat is VBA
VBA is for Visual Basic for Applications
Access by pressing ALT+F11 in EXCEL
Advantages of VBAAdvantages of VBAGreatly expand the capability of EXCEL
- automate & program tedious calculations & graph drawings
- user-friendly interface can be designed
Application examples - Nonlinear regression (Gauss-Newton method)
- King and Altman procedure
- Parameter searching (Systematic grid search)
- Monte Carlo simulation & etc.
Example 1: Linear RegressionExample 1: Linear Regression
Example 2: Titration ProgramExample 2: Titration Program
Example 2: Titration ProgramExample 2: Titration Program
Example 2: Titration ProgramExample 2: Titration Program
Example Example 33: : Parameter searchParameter search
Example Example 44: : PDCPDC model model
PDC
Example Example 44: : PDCPDC model model
Full form
According to King and Altman (1956)
Simplified form
Example Example 44: : PDCPDC model model
Example Example 44: : PDCPDC model model
Example Example 44: : PDCPDC model model
Example Example 44: : PDCPDC model model
Example Example 44: : PDCPDC model model
Example Example 44: : PDCPDC model model
Example Example 44: P: PDDC modelC model
Example Example 44: P: PDDC modelC model
Example Example 44: P: PDDC modelC model
ii
iii
i Bkk
Akkkk
k
EBAkkkk
dt
Pd
5
4
32
32
1
32
32
1
ii dt
Pd
dt
Bd
iiii dt
Rd
dt
Qd
dt
Pd
dt
Ad2
iiiri
EAQVdt
Rd iiiriiq
i
EAQVEAVdt
Qd
Product
Reactants
By-products
Example Example 44: P: PDDC modelC model
ii dt
Pd
dt
Bd
iiii dt
Rd
dt
Qd
dt
Pd
dt
Ad2
iiiri
EAQVdt
Rd iiiriiq
i
EAQVEAVdt
Qd
Product
Reactants
By-products
iim
ih
ib
hib
i
EAK
A
BK
BKk
dt
Pd
1
2
Example Example 44: P: PDDC modelC model
Example Example 44: P: PDDC modelC model100 mM Bz ; 120 mM Pyr
0
24
48
72
96
120
0 1 2 3 4 5 6 7 8 9Time (hr)
Co
nce
ntr
atio
n (
mM
)
0.0
0.7
1.4
2.1
2.8
3.5
En
zym
e ac
tivi
ty (
U/m
l)
.
[Pyruvate] [Benzaldehyde][Acetaldehyde] [Acetoin][R-PAC] Enzyme Activity
Example Example 44: P: PDDC modelC model100 mM Bz ; 120 mM Pyr
0
24
48
72
96
120
0 1 2 3 4 5 6 7 8 9Time (hr)
Co
nc
en
tra
tio
n (
mM
)
0.0
0.7
1.4
2.1
2.8
3.5
En
zym
e a
cti
vity
(U
/ml)
.
[Pyruvate] [Benzaldehyde][Acetaldehyde] [Acetoin][R-PAC] Enzyme Activity
Sample exerciseSample exercise
Design VBA codeDesign VBA code1. Gather data & store them in an
array
Design VBA codeDesign VBA code2. Arrange stored array in a new sheet
Design VBA codeDesign VBA code3. Enter data headings
Reformatted Data (Week 1)Reformatted Data (Week 1)
Reformatted Data (Week 4)Reformatted Data (Week 4)