The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation.

By Y. Duan, Lu Wang, Peter A. Kollman. 1998

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Protein 3D Structure Computed from Evolutionary Sequence Variation (2011, neutral): “[25,27,28].”
The protein folding 'speed limit'. (2004, unknown): “1 300 [16] [22,91,108–119] N68H/K65Nle 35 1.”
3D Protein Structure Predicted from Sequence (2011, unknown): “to-‐structure problem remains unsolved, methods that use fragment libraries [20,21] or other strategies to search conformational space [22,23], followed by sophisticated energy optimization or molecular d”
Protein storytelling through physics (2020, background): “Among the first protein-folding stories, in 1998, was one from van Gunsteren and co-workers on peptides (28) and one from Duan and Kollman and their colleagues, who applied supercomputing to attempt to fold the villin headpiece, one of the smallest foldable proteins (29).”