Nonequilibrium dynamics of complex systems: proteins and active matter
复杂系统的非平衡动力学:蛋白质和活性物质
基本信息
- 批准号:RGPIN-2018-04605
- 负责人:
- 金额:$ 2.62万
- 依托单位:
- 依托单位国家:加拿大
- 项目类别:Discovery Grants Program - Individual
- 财政年份:2020
- 资助国家:加拿大
- 起止时间:2020-01-01 至 2021-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
This proposal outlines the development and application of theoretical tools designed to characterize the long time dynamics of complex systems, with a particular focus on the dynamics of structural transitions in model protein systems and the physics of nanomotor systems that operate out of equilibrium. Both projects involve a combination of coarse-grain simulations, numerical analysis techniques as well as fundamental theoretical work.
The first project concerns the construction and validation of a simple model designed to mimic a protein in solution. The goal of these studies is to establish the connection between chemical composition, the populations of different three-dimensional structures as a function of temperature, and the dynamics of proteins. Simulations of the system will be compared with theoretical predictions in order to examine how particular interactions can lead to diseases linked to the misfolding of proteins and how non-desirable intramolecular interactions influence the stability and folding behavior of proteins.
A large number of molecular machines have evolved in the natural world that actively harness external environmental conditions to perform essential biological functions at the nanoscale. Such machines can operate both as individual units and cooperatively in large groups. Synthetic nanomotors are of particular interest since their morphology and chemical properties may be tailored to carry out specific tasks. In the second project, we consider the dynamics of a system of nanomotors operating out of equilibrium whose activity arises due to catalytic chemical processes occurring at the surface of the motors. Our studies are based on microscopic models that are able to account for intermolecular interactions, many-body concentration gradients, fluid flows and the effect of random thermal fluctuations. Suspensions of motors exhibit complex collective phenomena, including dynamical clustering, phase separation, and giant-number fluctuations. This behavior can arise from a combination of effects arising from chemical activity and hydrodynamic effects in which fluid flow induced by the motion of a given motor exerts non-uniform pressure forces on others. We plan to study in detail the way in which the collective dynamics is mediated by such interactions and use our simulations to explore the mechanisms through which large density fluctuations and dynamical clustering arise as a function of the catalytic properties of the motors and the environmental conditions. We will use statistical mechanical tools developed for driven multi-phase systems to formulate exact expressions for quantities that characterize the evolution of the nanomotor system operating under conditions that are far from equilibrium.
本提案概述了理论工具的发展和应用,这些理论工具旨在描述复杂系统的长时间动力学,特别关注模型蛋白质系统的结构转变动力学和纳米运动系统的物理失平衡。这两个项目都涉及到粗粒度模拟、数值分析技术以及基础理论工作的结合。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Schofield, Jeremy其他文献
Study of carrier mobility of tubular and planar graphdiyne
- DOI:
10.1007/s00339-015-8992-8 - 发表时间:
2015-05-01 - 期刊:
- 影响因子:2.7
- 作者:
Jalili, Seifollah;Houshmand, Fatemeh;Schofield, Jeremy - 通讯作者:
Schofield, Jeremy
CD56 positive central nervous system plasmacytosis in a patient with refractory CD56 negative primary plasma cell leukaemia.
- DOI:
10.1002/jha2.271 - 发表时间:
2021-11 - 期刊:
- 影响因子:0
- 作者:
Yong, Jun;Schofield, Jeremy;Lawton, David;Brearton, Gillian - 通讯作者:
Brearton, Gillian
Ti-coated BC2N nanotubes as hydrogen storage materials
- DOI:
10.1139/cjc-2012-0386 - 发表时间:
2013-07-01 - 期刊:
- 影响因子:0
- 作者:
Jalili, Seifollah;Molani, Farzad;Schofield, Jeremy - 通讯作者:
Schofield, Jeremy
Al-doped B80 fullerene as a suitable candidate for H2, CH4, and CO2 adsorption for clean energy applications
- DOI:
10.1016/j.jscs.2017.07.001 - 发表时间:
2018-01-01 - 期刊:
- 影响因子:5.6
- 作者:
Molani, Farzad;Jalili, Seifollah;Schofield, Jeremy - 通讯作者:
Schofield, Jeremy
Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors
- DOI:
10.1088/1367-2630/aa958c - 发表时间:
2017-12-05 - 期刊:
- 影响因子:3.3
- 作者:
Huang, Mu-Jie;Schofield, Jeremy;Kapral, Raymond - 通讯作者:
Kapral, Raymond
Schofield, Jeremy的其他文献
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{{ truncateString('Schofield, Jeremy', 18)}}的其他基金
Nonequilibrium dynamics of complex systems: proteins and active matter
复杂系统的非平衡动力学:蛋白质和活性物质
- 批准号:
RGPIN-2018-04605 - 财政年份:2022
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Nonequilibrium dynamics of complex systems: proteins and active matter
复杂系统的非平衡动力学:蛋白质和活性物质
- 批准号:
RGPIN-2018-04605 - 财政年份:2021
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Nonequilibrium dynamics of complex systems: proteins and active matter
复杂系统的非平衡动力学:蛋白质和活性物质
- 批准号:
RGPIN-2018-04605 - 财政年份:2019
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Nonequilibrium dynamics of complex systems: proteins and active matter
复杂系统的非平衡动力学:蛋白质和活性物质
- 批准号:
RGPIN-2018-04605 - 财政年份:2018
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Structure and dynamics in complex systems: Computational studies of biophysical and nanomaterial systems
复杂系统的结构和动力学:生物物理和纳米材料系统的计算研究
- 批准号:
203313-2013 - 财政年份:2017
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Structure and dynamics in complex systems: Computational studies of biophysical and nanomaterial systems
复杂系统的结构和动力学:生物物理和纳米材料系统的计算研究
- 批准号:
203313-2013 - 财政年份:2015
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Structure and dynamics in complex systems: Computational studies of biophysical and nanomaterial systems
复杂系统的结构和动力学:生物物理和纳米材料系统的计算研究
- 批准号:
203313-2013 - 财政年份:2014
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Structure and dynamics in complex systems: Computational studies of biophysical and nanomaterial systems
复杂系统的结构和动力学:生物物理和纳米材料系统的计算研究
- 批准号:
203313-2013 - 财政年份:2013
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Theoretical studies of complex systems
复杂系统的理论研究
- 批准号:
203313-2008 - 财政年份:2012
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
Theoretical studies of complex systems
复杂系统的理论研究
- 批准号:
203313-2008 - 财政年份:2011
- 资助金额:
$ 2.62万 - 项目类别:
Discovery Grants Program - Individual
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