Amaro Rommie E, Mulholland Adrian J
UC San Diego.
University of Bristol.
Comput Sci Eng. 2020 Nov-Dec;22(6):30-36. doi: 10.1109/MCSE.2020.3024155. Epub 2020 Sep 15.
COVID19 has changed life for people worldwide. Despite lockdowns globally, computational research has pressed on, working remotely and collaborating virtually on research questions in COVID19 and the virus it is caused by, SARS-CoV-2. Molecular simulations can help to characterize the function of viral and host proteins and have the potential to contribute to the search for vaccines and treatments. Changes in the of research groups include broader adoption of the use of preprint servers, earlier and more open sharing of methods, models, and data, the use of social media to rapidly disseminate information, online seminars, and cloud-based virtual collaboration. Research funders and computing providers worldwide recognized the need to provide rapid and significant access to computational architectures. In this review, we discuss how the interplay of all of these factors is influencing the impact - both potential and realized - of biomolecular simulations in the fight against SARS-CoV-2.
新冠疫情改变了全世界人们的生活。尽管全球实施了封锁措施，但计算研究仍在继续，研究人员通过远程工作和虚拟协作，探讨新冠疫情以及引发疫情的病毒——严重急性呼吸综合征冠状病毒2（SARS-CoV-2）相关的研究问题。分子模拟有助于表征病毒蛋白和宿主蛋白的功能，并有可能为疫苗和治疗方法的研发提供帮助。研究团队的变化包括更广泛地采用预印本服务器、更早且更开放地分享方法、模型和数据、利用社交媒体快速传播信息、举办在线研讨会以及开展基于云的虚拟协作。全球的研究资助者和计算服务提供商都意识到有必要提供对计算架构的快速且大量的访问。在这篇综述中，我们将讨论所有这些因素之间的相互作用如何影响生物分子模拟在抗击SARS-CoV-2中的潜在影响和实际影响。
