Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-N

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

(2009) Ivan I. Vorontsov et al.   BIOPHYSICAL JOURNAL

Atomic Mapping of the Sugar Interactions in One-Site and Two-Site Mutants of Cyanovirin-N by NMR Spectroscopy†

(2008) Corine Sandström et al.   BIOCHEMISTRY

Structural glycobiology: A game of snakes and ladders

(2008) M. L DeMarco et al.   GLYCOBIOLOGY

A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics

(2008) David S. Cerutti et al.   Journal of Chemical Theory and Computation

Computational models explain the oligosaccharide specificity of cyanovirin-N

(2008) Yukiji K. Fujimoto et al.   PROTEIN SCIENCE

Conformational gating of dimannose binding to the antiviral protein cyanovirin revealed from the crystal structure at 1.35 Å resolution

(2008) Raimund Fromme et al.   PROTEIN SCIENCE

Solution and Crystal Structures of a Sugar Binding Site Mutant of Cyanovirin-N: No Evidence of Domain Swapping

(2008) Elena Matei et al.   STRUCTURE