青霉素酰化酶与青霉素核结合的高性能计算分子模型:酶或其突变体是否具有β -内酰胺酶活性?

Q2 Computer Science

Supercomputing Frontiers and Innovations Pub Date : 2022-06-01 DOI:10.14529/jsfi220206

引用次数: 0

摘要

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Molecular Modeling of Penicillin Acylase Binding with a Penicillin Nucleus by High Performance Computing: Can Enzyme or its Mutants Possess beta-lactamase Activity?

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来源期刊

Supercomputing Frontiers and Innovations Computer Science-Computational Theory and Mathematics

CiteScore

1.60

自引率

0.00%

发文量

审稿时长

12 weeks

期刊介绍： The Journal of Supercomputing Frontiers and Innovations (JSFI) is a new peer reviewed publication that addresses the urgent need for greater dissemination of research and development findings and results at the leading edge of high performance computing systems, highly parallel methods, and extreme scaled applications. Key topic areas germane include, but not limited to: Enabling technologies for high performance computing Future generation supercomputer architectures Extreme-scale concepts beyond conventional practices including exascale Parallel programming models, interfaces, languages, libraries, and tools Supercomputer applications and algorithms Distributed operating systems, kernels, supervisors, and virtualization for highly scalable computing Scalable runtime systems software Methods and means of supercomputer system management, administration, and monitoring Mass storage systems, protocols, and allocation Energy and power minimization for very large deployed computers Resilience, reliability, and fault tolerance for future generation highly parallel computing systems Parallel performance and correctness debugging Scientific visualization for massive data and computing both external and in situ Education in high performance computing and computational science.