PHYLOGENETICS OF PLANT DISEASE RESISTANCE GENES USING SEQUENCE ALIGNMENT

我实验室的研究是以计算机为中心的 液体和蛋白质的模拟。 这些模拟被用来 为了更好地了解溶剂化如何影响各种 化学和生物化学过程。 我们的液体目前的重点 状态模拟是双重的：（a）算法的发展， 大规模并行计算机上的超大型液态模拟 其包括用于治疗长程相互作用的新方法， (b)极化效应的模拟。 有四个正在进行的 蛋白质模拟项目在我的实验室：（一）计算 通过显式溶剂模型模拟得到的蛋白质pKa变化， (b)的热力学和结构性质的表征 蛋白质溶剂化壳，（c）溶剂化的计算机模拟 蛋白质在高压下，和（d）蛋白质结构的测定 和核磁共振数据的动力学。 这是一把雨伞 我的实验室里所有项目的建议书。

The research in my laboratory is centered around computer simulations of liquids and proteins. The simulations are being used to gain a better understanding of how solvation affects a variety of chemical and biochemical processes. The current focus of our liquid state simulations is twofold: (a) the development of algorithms for very large liquid state simulations on massively parallel computers which include novel methods for treating long range interactions, and (b) simulations of polarization effects. There are four ongoing protein simulations projects in my laboratory: (a) the calculation of pKa shifts in proteins from simulations with explicit solvent models, (b) characterization of the thermodynamic and structural properties of the protein solvation shell, (c) computer simulations of solvated proteins at high pressure, and (d) determination of protein structure and dynamics from simulations and NMR data. This is an umbrella proposal for all the projects in my labo ratory.