High Performance Computing Cluster for Biomedical Research at VCU

描述(申请人提供)：本申请的目标是增强弗吉尼亚联邦大学(VCU)的计算能力，并使VCU MCV校区的研究人员和学生受益，他们对使用先进的计算方法在原子水平上研究大分子的结构和功能之间的关系感兴趣。我们希望获得一个新的高性能计算集群(HPCC)，以满足快速增长的需求，如分子建模和模拟、计算结构生物学、生物信息学、核磁共振和X射线结晶学。通过使用这种最先进的计算设施，科学家可以极大地加快他们的研究，降低湿实验室实验的成本，并缩短疾病药物发现的周期。通过开发和共享这一计算设施，一组调查人员将建立一个环境，以促进成员之间的合作，并加强VCU的跨学科研究工作。这个设施还可以成为一种资源，吸引新的研究人员来丰富VCU的生物医学研究。 公共卫生相关性：现代生物医学研究强烈依赖高性能计算和强大的计算资源。先进的计算模拟将帮助科学家在原子水平上探索大分子结构和功能之间的关系，并加快基于结构的预防或治疗人类疾病的药物发现进程。

DESCRIPTION (provided by applicant): The goal of this application is to enhance the computational capabilities at Virginia Commonwealth University (VCU), and benefit the researchers and students on the MCV Campus of VCU, who are interested in using advanced computational methods to investigate the relationship between structure and function of macromolecules at the atomic level. We wish to acquire a new High Performance Computing Cluster (HPCC) to meet a rapidly growing demand for tasks such as molecular modeling and simulation, computational structural biology, bioinformatics, NMR, and X-ray crystallography. By using this state-of-the-art computational facility, scientists can dramatically accelerate their research, reduce the costs for wet-lab experiments, and shorten the period of drug discovery for diseases. By developing and sharing this computational facility a team of investigators will build an environment to nurture collaborations between members and enhance an interdisciplinary research effort at VCU. This facility could also become a resource to attract new investigators to enrich biomedical research at VCU. PUBLIC HEALTH RELEVANCE: Modern biomedical research strongly depends on high-performance computing and powerful computational resources. Advanced computational simulations will help scientists explore the relationship between structure and function of macromolecules at the atomic level, and accelerate the process of structure-based drug discovery for prevention or cure of human diseases.