TY  - JOUR
AU  - Skaf, Munir Salomao
AU  - Polikarpov, Igor
AU  - Stanković, Ivana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3631
AB  - The linker of the endoglucanase from Xanthomonas campestris pv. campestris ((PT)12) has a specific sequence, a repeating proline-threonine motif. In order to understand its role, it has been compared to a regular sequence linker, in this work-the cellobiohydrolase 2 from Trichoderma reesei (CBH2). Elastic properties of the two linkers have been estimated by calculating free energy profile along the linker length from an enhanced sampling molecular dynamics simulation. The (PT)12 exhibits more pronounced elastic behaviour than CBH2. The PT repeating motif results in a two-mode energy profile which could be very useful in the enzyme motions along the substrate during hydrolytic catalysis.
PB  - Springer Nature Switzerland AG 2020
T2  - Journal of Molecular Modeling
T1  - A linker of the proline-threonine repeatingmotif sequence is bimodal
VL  - 26
IS  - 178
IS  - 7
DO  - 10.1007/s00894-020-04434-0
ER  - 

@article{
author = "Skaf, Munir Salomao and Polikarpov, Igor and Stanković, Ivana",
year = "2020",
abstract = "The linker of the endoglucanase from Xanthomonas campestris pv. campestris ((PT)12) has a specific sequence, a repeating proline-threonine motif. In order to understand its role, it has been compared to a regular sequence linker, in this work-the cellobiohydrolase 2 from Trichoderma reesei (CBH2). Elastic properties of the two linkers have been estimated by calculating free energy profile along the linker length from an enhanced sampling molecular dynamics simulation. The (PT)12 exhibits more pronounced elastic behaviour than CBH2. The PT repeating motif results in a two-mode energy profile which could be very useful in the enzyme motions along the substrate during hydrolytic catalysis.",
publisher = "Springer Nature Switzerland AG 2020",
journal = "Journal of Molecular Modeling",
title = "A linker of the proline-threonine repeatingmotif sequence is bimodal",
volume = "26",
number = "178, 7",
doi = "10.1007/s00894-020-04434-0"
}

Skaf, M. S., Polikarpov, I.,& Stanković, I.. (2020). A linker of the proline-threonine repeatingmotif sequence is bimodal. in Journal of Molecular Modeling
Springer Nature Switzerland AG 2020., 26(178).
https://doi.org/10.1007/s00894-020-04434-0

Skaf MS, Polikarpov I, Stanković I. A linker of the proline-threonine repeatingmotif sequence is bimodal. in Journal of Molecular Modeling. 2020;26(178).
doi:10.1007/s00894-020-04434-0 .

Skaf, Munir Salomao, Polikarpov, Igor, Stanković, Ivana, "A linker of the proline-threonine repeatingmotif sequence is bimodal" in Journal of Molecular Modeling, 26, no. 178 (2020),
https://doi.org/10.1007/s00894-020-04434-0 . .