作者
Brian J Bender, Alberto Cisneros III, Amanda M Duran, Jessica A Finn, Darwin Fu, Alyssa D Lokits, Benjamin K Mueller, Amandeep K Sangha, Marion F Sauer, Alexander M Sevy, Gregory Sliwoski, Jonathan H Sheehan, Frank DiMaio, Jens Meiler, Rocco Moretti
发表日期
2016/8/30
来源
Biochemistry
卷号
55
期号
34
页码范围
4748-4763
出版商
American Chemical Society
简介
Previously, we published an article providing an overview of the Rosetta suite of biomacromolecular modeling software and a series of step-by-step tutorials [Kaufmann, K. W., et al. (2010) Biochemistry 49, 2987–2998]. The overwhelming positive response to this publication we received motivates us to here share the next iteration of these tutorials that feature de novo folding, comparative modeling, loop construction, protein docking, small molecule docking, and protein design. This updated and expanded set of tutorials is needed, as since 2010 Rosetta has been fully redesigned into an object-oriented protein modeling program Rosetta3. Notable improvements include a substantially improved energy function, an XML-like language termed “RosettaScripts” for flexibly specifying modeling task, new analysis tools, the addition of the TopologyBroker to control conformational sampling, and support for multiple …
引用总数
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学术搜索中的文章
BJ Bender, A Cisneros III, AM Duran, JA Finn, D Fu… - Biochemistry, 2016