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Solution and Crystal Molecular Dynamics Simulation Study of m4-Cyanovirin-N Mutants Complexed with Di-Mannose

✍ Scribed by Vorontsov, Ivan I.; Miyashita, Osamu


Book ID
119205902
Publisher
Biophysical Society
Year
2009
Tongue
English
Weight
624 KB
Volume
97
Category
Article
ISSN
0006-3495

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Crystal molecular dynamics simulations t
✍ Ivan I. Vorontsov; Osamu Miyashita 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 315 KB

## Abstract Complexes of two Cyanovirin‐N (CVN) mutants, m4‐CVN and P51G‐m4‐CVN, with deoxy di‐mannose analogs were employed as models to generate conformational ensembles using explicit water Molecular Dynamics (MD) simulations in solution and in crystal environment. The results were utilized for