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Estimating ruggedness of free-energy landscapes of small globular proteins from principal component analysis of molecular dynamics trajectories.
Volkhardt, Andreas; Grubmüller, Helmut.
Affiliation
  • Volkhardt A; Max Planck Institute for Multidisciplinary Sciences, Theoretical and Computational Biophysics Department, Am Fassberg 11, 37077 Göttingen, Germany.
  • Grubmüller H; Max Planck Institute for Multidisciplinary Sciences, Theoretical and Computational Biophysics Department, Am Fassberg 11, 37077 Göttingen, Germany.
Phys Rev E ; 105(4-1): 044404, 2022 Apr.
Article in En | MEDLINE | ID: mdl-35590540
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Molecular Dynamics Simulation Type of study: Prognostic_studies Language: En Journal: Phys Rev E Year: 2022 Document type: Article Affiliation country: Germany Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteins / Molecular Dynamics Simulation Type of study: Prognostic_studies Language: En Journal: Phys Rev E Year: 2022 Document type: Article Affiliation country: Germany Country of publication: United States