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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

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 connection 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: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:绘制至少一个生物和/或化学反应路径的图;从路径图构建至少一组结合和反应方程式;为所述路径图的分子构建至少一组浓度方程;构造与每组方程相对应的电子电路;通过测量电路两个或多个连接点的电压来确定路径的仿真。还提供了一种用于对生物分子和/或纳米分子系统进行分子动力学模拟的方法,该方法包括:构造至少一组方程式,其代表所述生物分子和/或纳米分子系统中的至少一个分子的分子动力学;构建代表每组方程的电子电路;通过测量电路两个或多个连接点的电压来确定分子动力学模拟。

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