title: Exploring the Effects of Subfreezing Temperature and Salt Concentration on Ice Growth Inhibition of Antarctic Gram-Negative Bacterium Marinomonas Primoryensis Using Coarse-Grained Simulation.
abstract: The aim of this work is to study the freezing process of water molecules surrounding Antarctic Gram-negative bacterium Marinomonas primoryensis antifreeze protein (MpAFP) and the MpAFP interactions to the surface of ice crystals under various marine environments (at different NaCl concentrations of 0.3, 0.6, and 0.8 mol/l). Our result indicates that activating temperature region of MpAFPs reduced as NaCl concentration increased. Specifically, MpAFP was activated and functioned at 0.6 mol/l with temperatures equal or larger 278 K, and at 0.8 mol/l with temperatures equal or larger 270 K. Additionally, MpAFP was inhibited by ice crystal network from 268 to 274 K and solid-liquid hybrid from 276 to 282 K at 0.3 mol/l concentration. Our results shed lights on structural dynamics of MpAFP among different marine environments.
authors.affiliation: Life Science Laboratory of Institute for Computational Science and Technology, Ho Chi Minh City, Vietnam. hung.nv@icst.org.vn.
authors.forename: Hung
authors.initials: H
authors.lastname: Nguyen
authors.affiliation: Life Science Laboratory of Institute for Computational Science and Technology, Ho Chi Minh City, Vietnam.|School of Biotechnology of Ho Chi Minh International University, Vietnam National University, Ho Chi Minh City, Vietnam.
authors.forename: Thanh
authors.initials: T
authors.lastname: Dac Van
authors.affiliation: Life Science Laboratory of Institute for Computational Science and Technology, Ho Chi Minh City, Vietnam.
authors.forename: Nhut
authors.initials: N
authors.lastname: Tran
authors.affiliation: Life Science Laboratory of Institute for Computational Science and Technology, Ho Chi Minh City, Vietnam. ly.le@hcmiu.edu.vn.|School of Biotechnology of Ho Chi Minh International University, Vietnam National University, Ho Chi Minh City, Vietnam. ly.le@hcmiu.edu.vn.
authors.forename: Ly
authors.initials: L
authors.lastname: Le
mesh_terms: D000864:Antarctic Regions; D001665:Binding Sites; D003460:Crystallization; D005615:Freezing; D006090:Gram-Negative Bacteria / Q000378:metabolism*; D007053:Ice; D053544:Marinomonas / Q000737:chemistry / Q000378:metabolism*; D012965:Sodium Chloride / Q000737:chemistry; D013696:Temperature; D014867:Water / Q000737:chemistry
chemical_list: D007053:Ice; D014867:Water; D012965:Sodium Chloride
keywords: Coarse-grained simulation; Free energy landscape; MARTINI force field; MpAFPs