Modeling of kinetic processes in biological systems

通道促进的膜转运。(I)应用我们早期发展的理论分析了多电荷高亲和力毒素抑制剂对炭疽通道的阻断作用。(Ii)从解析和数值两方面研究了颗粒间相互作用对颗粒在锥形通道中输运的影响。我们证明了非相互作用粒子输运中固有的通量对称性被粒子间的排斥所打破。我们的解析预测与布朗动力学模拟得到的数值结果非常一致。 果蝇胚胎中形态原梯度的动态变化。我们发展了一个当地时间的理论，该理论描述了果蝇胚胎中形态原梯度的形成。我们的结果表明，当地时间如何依赖于距离形态生态源的距离和形态生态源强度的分布。 具有熵陷阱和势垒的复杂介质中的传输。用布朗动力学模拟方法研究了颗粒在不同形状管内的有效迁移率和扩散系数与驱动力的关系。我们的结果表明，依赖于管的形状，也就是管的熵势，可能会有质的不同。

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.