Membrane Regulation of Cell Permeability and Protein Function

生物膜通过为细胞表面识别、信号传导和转运提供界面来介导生物活性。 不了解细胞膜就无法理解细胞功能。 它们既是进入细胞的通道，也是一系列具有关键功能的蛋白质（泵、通道、载体、受体、酶和能量转换器）的家园。 艾伦教授正在开发严格的计算方法，与实验相结合，以描述生物膜渗透性和膜蛋白活性的物理规则。他的实验室正在揭示膜变形和离子，带电肽和离子载体渗透的机制，以提高对病毒，毒素和抗菌肽作用的理解，以及开发新型药物输送和生物传感应用。 艾伦教授还设计了一种可实现的策略，采用肽作为模型跨膜蛋白片段，以计算脂质成分和药理学试剂对蛋白质活化的影响，并正在探索对我们的神经系统至关重要的离子通道蛋白质的调节。 更广泛的影响这个项目提供了分子水平的理解关键的生物功能，将有助于未来的药理学和生物技术创新。 这项研究中出现的蛋白质-膜相互作用的定量描述需要了解膜蛋白的分布，折叠和功能，这些蛋白质占人类基因组的近三分之一，占所有药物靶点的三分之二，以及病毒，毒素，抗菌剂和纳米器件的作用。 艾伦教授正在积极寻求新的和令人兴奋的方式来利用年轻和贫困学生的好奇心和热情。 他正在将生物分子模拟引入本科生和研究生课程，为后代建立一个教育框架。 他正在创建自己的计划，包括培训活动SYLICCO（针对计算化学机会的学习和工业研讨会），让学生学习计算化学和生物物理的技能，并引导他们在学术界和工业界的职业生涯。 他为来自弱势背景的学生提供机会，包括开发和参与区域外展和高中课程（例如COSMOS，青年学者，ACS种子和探索）。 艾伦教授致力于加强加州大学戴维斯分校的外展教育环境，将NSF资助的科学带到社区的基层，为学生提供生物分子科学方面令人兴奋的机会。该项目由细胞过程集群和生物分子动力学，结构和功能集群共同资助。

Intellectual MeritBiological membranes mediate biological activity by providing an interface for cell-surface recognition, signaling, and transport. One cannot understand cellular function without understanding membranes. They are both the gateways into cells and home to a range of proteins with critical functions (pumps, channels, carriers, receptors, enzymes and energy transducers). Prof. Allen is developing rigorous computational approaches, in concert with experiments, to describe the physical rules underlying biological membrane permeability and membrane protein activity. His laboratory is unveiling the mechanisms of membrane deformations and permeation by ions, charged peptides and ionophores for improved understanding of the actions of viral, toxin and antimicrobial peptides, as well as for the development of novel drug delivery and bio-sensing applications. Prof. Allen has also devised a realizable strategy, employing peptides as model trans-membrane protein segments, to calculate the effects of lipid composition and pharmacological agents on protein activation, and is exploring the regulation of ion channel proteins, crucial to our nervous systems. Broader ImpactsThis project is providing molecular-level understanding for critical biological functions that will assist in future pharmacological and biotechnological innovations. The quantitative descriptions of protein-membrane interactions emerging from this research are needed to understand the distribution, folding and function of membrane-proteins, which make up nearly a third of the human genome and two thirds of all drug targets, as well as the actions of viruses, toxins, antimicrobial agents and nanodevices for drug delivery and to probe cells at the molecular level. Prof. Allen is actively seeking new and exciting ways of harnessing the curiosity and enthusiasm of young and underprivileged students. He is introducing biomolecular simulation into the undergraduate and graduate curriculum, setting up an educational framework for future generations. He is creating his own initiatives, including the training event SYLICCO (SYmposium on Learning and Industry targeting Computational Chemistry Opportunities), for students to learn the skills of computational chemistry and biophysics and lead them to careers in academia and industry. He is providing opportunities for students from disadvantaged backgrounds, including the development of, and participation in regional outreach and high school programs (e.g. COSMOS, Young Scholars, ACS Seed and Explorit). Prof. Allen is committed to enhancing the UC Davis environment for outreach education, taking this NSF funded science to the grass roots of the community to provide students with exciting opportunities in biomolecular science.This project is funded jointly by the Cellular Process Cluster and the Biomolecular Dynamics, Structure, and Function cluster.