Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations

Frank Noé; Christof Schütte; Eric Vanden‐Eijnden; Lothar Reich; Thomas R. Weikl

Năm xuất bản2009

Nguồn học thuậtProceedings of the National Academy of Sciences

Định danhDOI 10.1073/pnas.0905466106

TRÍCH DẪN ĐỀ XUẤTAPA 7

Frank Noé; Christof Schütte; Eric Vanden‐Eijnden; Lothar Reich; Thomas R. Weikl (2009). Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations. Proceedings of the National Academy of Sciences, 106(45), 19011-19016. https://doi.org/10.1073/pnas.0905466106

Thông tin thư mục

Nguồn/Tạp chí: Proceedings of the National Academy of Sciences
Tập: 106
Số: 45
Trang: 19011-19016
Nhà xuất bản: National Academy of Sciences
DOI: 10.1073/pnas.0905466106 ↗

Từ khóa

Protein folding; Folding (DSP implementation); Folding funnel; Downhill folding; Reaction coordinate; Molecular dynamics; Markov chain; Statistical physics; Contact order; Computer science; Chemistry; Physics; Phi value analysis; Computational chemistry