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首页> 外文会议>Bioinformatics and Biomedical Engineering , 2009. ICBBE 2009 >An Efficient Hardware-Based Approach for Molecular Folding Calculations via System-on-Chip
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An Efficient Hardware-Based Approach for Molecular Folding Calculations via System-on-Chip

机译：通过片上系统进行分子折叠计算的基于硬件的高效方法

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摘要

This paper presents a methodology for the design of a reconfigurable computing system applied to a complex problem in molecular Biology: the protein folding problem. This paper employed VMD tool and force field simulation theorem based on FPGA for protein folding solution. This technique consists of two components: finished protein folding process and found out active sites for drug docking. The goal of protein folding simulation is to search the global energy minimum location with stability state and the when the protein is finished the folding task, we can find out the active sites for pre-process of ligand protein docking. An efficient hardware-based approach was devised to achieve a significant reduction of the search space of possible foldings. Several simulations were done to evaluate the performance of the system as well as the demand for FPGA's resources.
机译：本文提出了一种设计可重构计算系统的方法，该系统适用于分子生物学中的一个复杂问题：蛋白质折叠问题。本文将基于VMD的工具和基于FPGA的力场模拟定理用于蛋白质折叠解决方案。该技术由两个部分组成：完成的蛋白质折叠过程以及找出用于药物对接的活性位点。蛋白质折叠模拟的目的是寻找具有稳定状态的全局能量最小位置，并且当蛋白质完成折叠任务时，我们可以找到配体蛋白质对接预处理的活性位点。设计了一种有效的基于硬件的方法来显着减少可能折叠的搜索空间。进行了几次仿真，以评估系统性能以及对FPGA资源的需求。

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