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DOI | 10.1126/science.aat4010 |
Biophysical experiments and biomolecular simulations: A perfect match? | |
Bottaro, Sandro; Lindorff-Larsen, Kresten | |
2018-07-27 | |
发表期刊 | SCIENCE
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ISSN | 0036-8075 |
EISSN | 1095-9203 |
出版年 | 2018 |
卷号 | 361期号:6400页码:355-+ |
文章类型 | Review |
语种 | 英语 |
国家 | Denmark |
英文摘要 | A fundamental challenge in biological research is achieving an atomic-level description and mechanistic understanding of the function of biomolecules. Techniques for biomolecular simulations have undergone substantial developments, and their accuracy and scope have expanded considerably. Progress has been made through an increasingly tight integration of experiments and simulations, with experiments being used to refine simulations and simulations used to interpret experiments. Here we review the underpinnings of this progress, including methods for more efficient conformational sampling, accuracy of the physical models used, and theoretical approaches to integrate experiments and simulations. These developments are enabling detailed studies of complex biomolecular assemblies. |
领域 | 地球科学 ; 气候变化 ; 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000439923700033 |
WOS关键词 | MARKOV STATE MODELS ; MOLECULAR-DYNAMICS ; FORCE-FIELD ; PROTEINS ; TRANSITION ; HELIX ; ART |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/199244 |
专题 | 地球科学 资源环境科学 气候变化 |
作者单位 | Univ Copenhagen, Struct Biol & NMR Lab, Linderstrom Lang Ctr Prot Sci & Integrat Struct B, Dept Biol,ISBUC, Copenhagen, Denmark |
推荐引用方式 GB/T 7714 | Bottaro, Sandro,Lindorff-Larsen, Kresten. Biophysical experiments and biomolecular simulations: A perfect match?[J]. SCIENCE,2018,361(6400):355-+. |
APA | Bottaro, Sandro,&Lindorff-Larsen, Kresten.(2018).Biophysical experiments and biomolecular simulations: A perfect match?.SCIENCE,361(6400),355-+. |
MLA | Bottaro, Sandro,et al."Biophysical experiments and biomolecular simulations: A perfect match?".SCIENCE 361.6400(2018):355-+. |
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