TY - JOUR
T1 - Simulation of endo-PG digest patterns and implications for the determination of pectin fine structure
AU - Williams, MAK
AU - Buffet, GMC
AU - Foster, TJ
AU - Norton, Ian
PY - 2001/8/30
Y1 - 2001/8/30
N2 - Novel stepwise approaches to the calculation of enzyme digest patterns are described and used in the validation of a computer simulation. Results obtained using the simulation show that, while a previously proposed model of endo-PG action captures some of the salient features of this enzymes behaviour, it is not sufficient to successfully predict experimental digest patterns from pectic substrates. Subsequently, it has been shown that a modified model incorporating existing information regarding subsite architecture and speculative site tolerances for esterified residues, goes someway towards improving the situation.
AB - Novel stepwise approaches to the calculation of enzyme digest patterns are described and used in the validation of a computer simulation. Results obtained using the simulation show that, while a previously proposed model of endo-PG action captures some of the salient features of this enzymes behaviour, it is not sufficient to successfully predict experimental digest patterns from pectic substrates. Subsequently, it has been shown that a modified model incorporating existing information regarding subsite architecture and speculative site tolerances for esterified residues, goes someway towards improving the situation.
U2 - 10.1016/S0008-6215(01)00165-3
DO - 10.1016/S0008-6215(01)00165-3
M3 - Article
C2 - 11513831
VL - 334
SP - 243
EP - 250
JO - Carbohydrate Research
JF - Carbohydrate Research
IS - 3
ER -