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11. Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics. Harada R; Sladek V; Shigeta Y J Chem Theory Comput; 2019 Sep; 15(9):5144-5153. PubMed ID: 31411882 [TBL] [Abstract][Full Text] [Related]
12. How low-resolution structural data predict the conformational changes of a protein: a study on data-driven molecular dynamics simulations. Harada R; Shigeta Y Phys Chem Chem Phys; 2018 Jul; 20(26):17790-17798. PubMed ID: 29922770 [TBL] [Abstract][Full Text] [Related]
13. Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches. Harada R; Shigeta Y J Chem Inf Model; 2017 Dec; 57(12):3070-3078. PubMed ID: 29111731 [TBL] [Abstract][Full Text] [Related]
14. Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins. Harada R; Takano Y; Shigeta Y J Chem Phys; 2014 Mar; 140(12):125103. PubMed ID: 24697482 [TBL] [Abstract][Full Text] [Related]
15. Enhanced Conformational Sampling Method Based on Anomaly Detection Parallel Cascade Selection Molecular Dynamics: ad-PaCS-MD. Harada R; Yamaguchi K; Shigeta Y J Chem Theory Comput; 2020 Oct; 16(10):6716-6725. PubMed ID: 32926622 [TBL] [Abstract][Full Text] [Related]
17. Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin. Harada R; Takano Y; Shigeta Y J Comput Chem; 2015 Apr; 36(10):763-72. PubMed ID: 25691321 [TBL] [Abstract][Full Text] [Related]
18. Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid docking. Harada R; Yoshino R; Nishizawa H; Shigeta Y J Mol Graph Model; 2019 Nov; 92():94-99. PubMed ID: 31344548 [TBL] [Abstract][Full Text] [Related]
19. Selection Rules for Outliers in Outlier Flooding Method Regulate Its Conformational Sampling Efficiency. Harada R; Shigeta Y J Chem Inf Model; 2019 Sep; 59(9):3919-3926. PubMed ID: 31424213 [TBL] [Abstract][Full Text] [Related]
20. Simple, yet powerful methodologies for conformational sampling of proteins. Harada R; Takano Y; Baba T; Shigeta Y Phys Chem Chem Phys; 2015 Mar; 17(9):6155-73. PubMed ID: 25659594 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]