分子间相互作用对蛋白质晶体生长的影响

采用原子力显微镜对溶菌酶和刀豆蛋白A的分子间相互作用力的情况进行了研究,并用动态光散射研究了此二种分子间相互作用力有较大差异的蛋白质在晶体生长条件和非生长条件下,溶液中的聚集体的状态(大小和分散度)随浓度和温度的变化情况.实验结果表明,范德华力强的刀豆蛋白A在成核前,溶液中的聚集体不能很快转变为生长基元,导致晶体生长时间长;而范德华力弱的溶菌酶,溶液中的聚集体可以很快转变成生长基元,晶体生长时间也较短.

The Loss of Functional Caspase-12 in Europe Is a Pre-Neolithic Event

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Molecular Dynamics Simulation of Barnacle Cement

Barnacle cement is an underwater adhesive that is used for permanent settlement. Its main components are insoluble protein complexes that have not been fully studied. In present article, we chose two proteins of barnacle cement for study, 36-KD protein and Mrcp-100K protein. In order to investigate the characteristic of above two proteins, we introduced the method of molecular modeling. And the simulation package GROMACS was used to simulate the behavior of these proteins. In this article, before the simulations, we introduce some theories to predict the time scale for polymer relaxation. During the simulation, we mainly focus on two properties of these two proteins: structural stability and adhesive force to substrate. First, we simulate the structural stability of two proteins in water, and then the stability of 36-KD protein in seawater environment is investigated. We find that the stability varies in the different environments. Next, to study adhesive ability of two proteins, we simulate the process of peeling the two proteins from the substrate (graphite). Then, we analyze the main reasons of these results. We find that hydrogen bonds in proteins play an important role in the protein stability. In the process of the peeling, we use Lennard-Jones 12-6 potential to calculate the van der Waals interactions between proteins and substrate.

A Surfboard for Riding the Wave

The report, A Surfboard for Riding the Wave, by the high level Knowledge Exchange expert group on research data called for a collaborative data infrastructure that will enable researchers and other stakeholders from education, society and business to use, re-use and exploit research data to the maximum benefit of science and society. The Knowledge Exchange partners have embraced this vision and commissioned a report that translates Riding the Wave into actions for the four partner countries and beyond. This paper builds on this report and presents an overview of the present situation with regard to research data in Denmark, Germany, the Netherlands and the United Kingdom and offers broad outlines for a possible action programme for the four countries in realising the envisaged collaborative data infrastructure. An action programme at the level of four countries will require the involvement of all stakeholders from the scientific community

Knowledge Exchange study: How Research Tools are of Value to Research: Use Cases and Recommendations

Research tools that are freely available and accessible via the Internet cover an emergent field in the worldwide research infrastructure. Clearly, research tools have increasing value for researchers in their research activities. Knowledge Exchange recently commissioned a project to explore use case studies to show research tools’ potential and relevance for the present research landscape. Makers of successful research tools have been asked questions such as: How are these research tools developed? What are their possibilities? How many researchers use them? What does this new phenomenon mean for the research infrastructure? Additional to the Use Cases, the authors offer observations and recommendations to contribute to effective development of a research infrastructure that can optimally benefit from research tools. the Use Cases are: •Averroes Goes Digital: Transformation, Translation, Transmission and Edition •BRIDGE: Tools for Media Studies Researchers •Multiple Researchers, Single Platform: A Virtual Tool for the 21st Century •The Fabric of Life •Games with A Purpose: How Games Are Turning Image Tagging into Child’s Play •Elmer: Modelling a Future •Molecular Modelling With SOMA2 •An Online Renaissance for Music: Making Early Modern Music Readable •Radio Recordings for Research: How A Million Hours of Danish Broadcasts Were Made Accessible •Salt Rot: A Central Space for Essential Research •Cosmos: Opening Up Social Media for Social Science A brief analysis by the authors can be found: •Some Observations Based on the Case Studies of Research Tools