122nd General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Grand Ballroom
Time 10월 19일 (금요일) 11:00~12:30
Code PHYS.P-235
Subject Evaluation of thermal hysteresis activity of ice-binding protein using molecular dynamics simulation
Authors Hyun Jung Yoon, Hak Jun Kim1, Sangwook Wu*
Department of Physics, Pukyong National University, Korea
1Department of Chemistry, Pukyong National University, Korea
Abstract Ice-etching experiment and molecular docking demonstrated that two ice-binding proteins (IBP), LeIBP from artic yeast and FfIBP from sea ice bacterium, show different activities in suppressing the growth of ice, leading to different thermal hysteresis (TH) even though they share common features in primary/tertiary structures. In this study, we investigated the ice-binding pattern of the two IBPs to different ice planes, prism and basal plane using all-atom molecular dynamics simulation. Our results provide a fully atomistic description of the difference in TH of two IBPs.
E-mail hjyoon105@naver.com