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Selectin−Ligand Interactions Revealed by Molecular Dynamics Simulation in Solution

✍ Scribed by Tsujishita, Hideki; Hiramatsu, Yasuyuki; Kondo, Noriko; Ohmoto, Hiroshi; Kondo, Hirosato; Kiso, Makoto; Hasegawa, Akira

Book ID
125972857
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
482 KB
Volume
40
Category
Article
ISSN
0022-2623

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📜 SIMILAR VOLUMES

Docking of flexible ligands to flexible
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
✍ Massimiliano Mangoni; Danilo Roccatano; Alfredo Di Nola 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 295 KB 👁 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