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METHODS FOR SIMULATION OF BIOLOGICAL AND/OR CHEMICAL REACTION PATHWAY, BIOMOLECULES AND NANO-MOLECULAR SYSTEMS

机译:模拟生物和/或化学反应途径,生物分子和纳米分子系统的方法

摘要

Title: METHODS FOR SIMULATION OF BIOLOGICAL AND/OR CHEMICAL REACTION PATHWAY, BIOMOLECULES AND NANO-MOLECULAR SYSTEMSAbstract: A method for simulation of at least one biological and/or chemical reaction pathway comprising: preparing a map of at least one biological and/or chemical reaction pathway; constructing at least one set of binding and reaction equation from the pathway map; constructing at least one set of concentration equation for molecules of the pathway map; constructing an electronic circuit corresponding to every set of equation; determining simulation of pathway by measuring voltage at two or more connec-tion points of the circuit. It is also provided a method for molecular dynamics simulation of biomolecules and/or nano-molecular systems comprising: constructing at least one set of equation representing the molecular dynamics of at least one molecule of the biomolecules and/or the nano-molecular systems; constructing an electronic circuit representing every set of equation; determining molecular dynamics simulation by measuring voltage at two or more connection points of the circuit.
机译:标题:模拟生物和/或化学反应途径的方法,生物分子和纳米系统摘要:一种用于模拟至少一个生物和/或化学反应路径的方法,包括:准备地图至少一种生物学和/或化学反应途径;从中构造至少一组结合和反应方程式路径图;为所述路径图的分子构建至少一组浓度方程;构建电子与每组方程相对应的电路;通过测量两个或多个连接处的电压来确定路径的仿真电路的点。还提供了一种用于生物分子和/或纳米分子的分子动力学模拟的方法。该系统包括:构造至少一组方程,该方程组代表至少一个分子的分子动力学。生物分子和/或纳米分子系统;构建代表每组方程的电子电路;决定通过测量电路两个或多个连接点的电压进行分子动力学模拟。

著录项

  • 公开/公告号SG120459A1

    专利类型

  • 公开/公告日2006-04-26

    原文格式PDF

  • 申请/专利权人 NATIONAL UNIVERSITY OF SINGAPORE;

    申请/专利号SG2006015978

  • 发明设计人 XU YONG PING;CHEN JIANZHONG;CHEN YU ZONG;

    申请日2004-09-28

  • 分类号G05B17/02;C07B31/00;nullnullnullnull/null;G06F17/13;

  • 国家 SG

  • 入库时间 2022-08-21 21:37:12

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