Modeling of kinetic processes in biological systems

凝胶促进膜转运。(i)我们应用我们早期开发的理论来分析多电荷高亲和力毒素抑制剂对炭疽通道的阻断。(ii)通过理论分析和数值模拟研究了颗粒间相互作用对颗粒在锥形通道中输运的影响。我们发现，通量对称性固有的非相互作用的粒子的运输被打破粒子间的排斥。我们的分析预测与布朗动力学模拟得到的数值结果非常吻合。 果蝇胚胎中形态发生梯度的动力学。我们开发了一个本地时间的理论，其特点是形成的形态梯度在果蝇Embrio。我们的研究结果表明，当地时间依赖于从源的形态和形态的源强度的分布的距离。 具有熵陷阱和势垒的复杂介质中的输运。利用布朗动力学模拟方法研究了不同形状管道中粒子的有效迁移率和扩散系数对驱动力的依赖关系。我们的研究结果表明，依赖性可能是定性不同的管的形状，即，管熵势。

Channel-facilitated membrane transport. (i) We applied our earlier developed theory to analyze blockage of Anthrax channel by multi-charged high-affinity toxin inhibitor. (ii) The effect of inter-particle interaction on particle transport through conical channels was studied both analytically and numerically. We showed that flux symmetry inherent in transport of non-interacting particles was broken by inter-particle repulsion. Our analytical predictions were in excellent agreement with numerical results obtained from Brownian dynamics simulations. Dynamics of morphogen gradients in the Drosophila Embrio. We developed a theory of local time that characterized formation of the morphogen gradient in a Drosophila Embrio. Our results show how the local time depends on the distance from the source of the morphogen and the distribution of the morphogen source intensity. Transport in complex media with entropy traps and barriers. Brownian dynamics simulations were used to study the dependence of the effective mobility and diffusion coefficient of a particle on the driving force in tubes of varying shape. Our results show that the dependences may be qualitatively different depending on the shape of the tube, i.e., the tube entropy potential.