Computational Structural Biology Section, Basic Science Program, Frederick National Laboratory for Cancer Research, Frederick, MD 21702, USA.
Sackler Institute of Molecular Medicine, Department of Human Genetics and Molecular Medicine, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel.
Molecules. 2019 Feb 12;24(3):637. doi: 10.3390/molecules24030637.
Computational biology has made powerful advances. Among these, trends in human health have been uncovered through heterogeneous 'big data' integration, and disease-associated genes were identified and classified. Along a different front, the dynamic organization of chromatin is being elucidated to gain insight into the fundamental question of genome regulation. Powerful conformational sampling methods have also been developed to yield a detailed molecular view of cellular processes. when combining these methods with the advancements in the modeling of supramolecular assemblies, including those at the membrane, we are finally able to get a glimpse into how cells' actions are regulated. Perhaps most intriguingly, a major thrust is on to decipher the mystery of how the brain is coded. Here, we aim to provide a broad, yet concise, sketch of modern aspects of computational biology, with a special focus on computational structural biology. We attempt to forecast the areas that computational structural biology will embrace in the future and the challenges that it may face. We skirt details, highlight successes, note failures, and map directions.
计算生物学取得了强大的进展。其中，通过异质“大数据”整合揭示了人类健康趋势，并鉴定和分类了与疾病相关的基因。另一方面，正在阐明染色质的动态组织，以深入了解基因组调控的基本问题。还开发了强大的构象采样方法，以获得细胞过程的详细分子视图。当将这些方法与超分子组装建模的进展相结合时，包括膜上的组装，我们终于能够一窥细胞活动是如何受到调节的。也许最引人注目的是，人们正在努力揭开大脑编码之谜。在这里，我们旨在提供计算生物学现代方面的广泛而简洁的概述，特别关注计算结构生物学。我们试图预测计算结构生物学未来将涵盖的领域以及它可能面临的挑战。我们回避细节，突出成功，注意失败，并指明方向。
