Abstract
We integrate molecular dynamics simulation methods with a newly developed supersecondary structure prediction method and compute the structure of a protein molecule, crambin. The computed structure is similar to the crystal structure with an rms error of 3.94 Å.
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Sun, Z.R., Cui, Y., Ling, L.J. et al. Molecular Dynamics Simulation of Protein Folding with Supersecondary Structure Constraints. J Protein Chem 17, 765–769 (1998). https://doi.org/10.1023/A:1020722117182
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DOI: https://doi.org/10.1023/A:1020722117182