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Can I read GRID‐MD—A tool for massive simulation of protein channels on EtoBox?
GRID‐MD—A tool for massive simulation of protein channels by Oliver Carrillo; Modesto Orozco is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is GRID‐MD—A tool for massive simulation of protein channels about?
## Abstract We present here a fast method for the exploration of channels in proteins based on molecular dynamics simulations of probe particles in a discrete grid space defined by an ensemble of protein conformations obtained either experimentally or by out‐of‐the‐grid atomistic molecular dynamics simulations. The method is able to provide millisecond‐long trajectories with a small computational effort, requires no human intervention in defining possible exit pathways and can detect both major and minor channels, giving a correct balance to the relative flux between them. The Grid‐Molecular‐Dynamics approach is then a suitable method for massive exploration of channels in proteins, even of those with unknown functional annotation. Proteins 2008. © 2007 Wiley‐Liss, Inc.
Who reads GRID‐MD—A tool for massive simulation of protein channels?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Oliver Carrillo; Modesto Orozco
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); Wiley-Liss Inc; Wiley (ISSN 0887-3585)
- Published
- 2008
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Life Sciences)