Modeling protein-protein interaction with electrostatic polarization

来源 :2012年理论与高性能计算化学国际会议(ICT-HPCC12) | 被引量 : 0次 | 上传用户:1by1
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Electrostatic interaction is perhaps the most important interaction in biomolecules,but so far the molecular force fields widely used to describe protein systems lack the polarization effect.Based on the recently developed fragment quantum method for proteins,we developed polarized protein-specific force field which takes into account polarization effect of specific protein structures.In this talk,we focus on the effect of polarization on interaction dynamics of protein-protein complex.
其他文献
In order to further improve the recovery ratio of strip mining,the paper described optimal design principles of strip mining for multi-seam and thick coal seam based on effects on strip mining subside
Reconstruction of abandoned ground in an open-pit mine should satisfy with ecological restoration principle,mitigate environment problem caused by coal mining and recover production ability of natural
Mineral resources type cities flourished with mineral mining,mining is the primary leading economic industry.In different countries,un-same social system,different economic regulation,whatever rich or
This paper presents a new modeling methodology - 3-Dimensional (3D) modeling in condition of moving discrete data - for the point cloud data of mining tunnel and mined-out area.If the traditional mode
The traditional method treats gyro-side as strong side in underground control network which has proved to be not sustainable.When gyro-sides are added,condition equations are needed and the approximat
会议
In order to monitor mine derrick deformation,an ambiguity search algorithm with baseline constraint was presented,and attitude determination of kinematical carrier was described based on the Rodrigues
会议
Calcium-silicate-hydrate,commonly abbreviated as C-S-H,is the chief nanoscale hydration product comprising Portland cement.In the synthesis of such complex multiscale materials,water content affects h
会议
会议