Crystal molecular dynamics simulations t
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Ivan I. Vorontsov; Osamu Miyashita
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Article
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2010
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John Wiley and Sons
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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