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Conformational flexibility of N-glycans in solution studied by REMD simulations

✍ Scribed by Suyong Re, Wataru Nishima, Naoyuki Miyashita, Yuji Sugita


Book ID
118829105
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
659 KB
Volume
4
Category
Article
ISSN
1867-2450

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Docking of flexible ligands to flexible
✍ Massimiliano Mangoni; Danilo Roccatano; Alfredo Di Nola πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 295 KB πŸ‘ 2 views

In this paper, a method of simulating the docking of small flexible ligands to flexible receptors in water is reported. The method is based on molecular dynamics simulations and is an extension of an algorithm previously reported by Di Nola et al. (Di Nola et al., Proteins 1994;19:174-182). The meth