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Molecular dynamics simulations of the basal planes of Ni and Cu using Finnis-Sinclair potentials

✍ Scribed by D.D. Koleske; S.J. Sibener

Publisher
Elsevier Science
Year
1993
Weight
73 KB
Volume
290
Category
Article
ISSN
0167-2584

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## Abstract The standard (absolute) binding free energy of the antibiotic sparsomycin with the 50S bacteria ribosomal subunit is calculated using molecular dynamics (MD) free energy perturbation (FEP) simulations with restraining potentials developed by Wang __et al.__ [Biophys. J. 91:2798–2814 (20