The dynamic conformer searching method was employed to search the minimum energy configuration.
首先,根据EDGA分子在纳米管壁中的受力情况,确定了相当于二维周期边界条件的三维周期边界模型,由分子动力学构象搜索法寻找低能量的分子构象,进而运用分子力学、分子动力学交替进行的退火算法对EDGA单层膜聚集体进行模拟计算;结果得到分子两端基谷氨酸的构象不同的最低能量的分子构象,和螺旋与弯曲两种趋势同时存在的EDGA单层膜聚集体。
Aim In order to find a way to prognosticate the region selectivity in the O methylation reaction of erythromycin and its derivatives, conformation search model of Hyperchem Pro 6 0 used in personal computer was used to establish it.
方法用HyperchemPro 6 0软件中构象搜寻模块 (MM +力场 ) ,对红霉素类化合物 4~ 6进行构象搜索 ,寻找低能分子最低能量构象簇 ,对得到的二面角参数进行分类统计分析。
Then main methods and algorithms involved in side-chain constructing and loop-region constructing of homologous protein are discussed,and major algorithms that are concerned in conformation search of unhomologous protein are analyzed and compared.
首先介绍了蛋白质结构预测中的三种理论方法,然后对同源蛋白质结构预测中侧链构造和环区构建中涉及到的主要方法进行了探讨,对非同源蛋白质结构预测中空间构象搜寻涉及到的主要算法进行了分析比较。
A Molecular Docking's Conformational Search Strategy Based on Immune Genetic Algorithm
一种基于免疫遗传算法的分子对接构象搜索策略
cameras victim location search
摄象机受难者定位搜索
In the lattice HP model, confirmation of self-avoiding path is the key to search folding conformation.
在格子模型中,自回避路径的确定是搜索折叠构象的关键。
Data Structure Design and Game-Tree Search Algorithm Research for Chinese Chess Computer Game;
中国象棋机器博弈数据结构设计与搜索算法研究
The Design and Implementation of Searching Framework about Information Based on DotLucene API
基于全文搜索DotLuceneAPI构建企业信息搜索框架
The Group polarization in the public opinion of "Cyber manhunt"
论“人肉搜索”中舆论的群体极化现象
Application of Game Tree Search Algorithm in Computer Chinese Chess
博弈树搜索算法在中国象棋中的应用
IMPROVEMENT ON ALPHA-BETA SEARCH ALGORITHM IN CHINESE CHESS
中国象棋Alpha-Beta搜索算法的研究与改进
As always, the search target marker - the white square - shows which object has been located by the search.
搜索标识——那个白色方块——显示出所搜索对象的位置。
Graph-based ranking model for object-level search
对象级搜索中基于图的对象排序模型(英文)
Design and Construction of Intelligent Search Engine based on Subject Portal:the Experiment of Agricultural History Portal's Search Engine
学科门户智能搜索引擎的设计与构建——农业史门户搜索引擎的实验
Study on Reconfiguration of Distribution Network Based on Tabu Search Algorithm;
基于禁忌搜索算法的配电网重构研究
Constructing of the Embedded Mandarin Speech Corpus and Unit Searching;
嵌入式汉语合成语音库的构建与搜索
Research and Development of Search Techology for Molecular Structure Database;
分子结构数据库搜索技术研究与开发
Research on Building P2P Search System Based on Tapestry;
基于Tapestry构建P2P资源搜索系统的研究
The Research on Tree-Structure Search Mechanism in Gnutella;
Gnutella网络中树结构搜索机制的研究
A Study on Search Method in Unstructured Peer-to-peer Network;
非结构化对等网络资源搜索方法研究
The Strategy for Constructing Evaluation Functions in the Algorithm of Game Searches;
游戏搜索算法中估价函数的构造策略
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