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ZENODO
Dataset . 2022
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ZENODO
Dataset . 2022
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https://doi.org/10.5281/zenodo...
Dataset . 2022
License: CC BY
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Dataset . 2022
License: CC BY
Data sources: Sygma
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https://doi.org/10.5281/zenodo...
Dataset . 2022
License: CC BY
Data sources: Sygma
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https://doi.org/10.5281/zenodo...
Dataset . 2022
License: CC BY
Data sources: Sygma
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Project files provided as supporting information to the manuscript "Fast, accurate, and system-specific variable-resolution modelling of proteins"

Authors: Fiorentini, Raffaele; Tarenzi, Thomas; Potestio, Raffaello;

Project files provided as supporting information to the manuscript "Fast, accurate, and system-specific variable-resolution modelling of proteins"

Abstract

Project files provided as supporting information to the manuscript "Fast, accurate, and system-specific variable-resolution modelling of proteins". The dataset contains the following files: - RMSD_adk: files containing the root-mean-square deviation computed on the C-alpha atoms/beads in the atomistic and CANVAS simulations of adk (Figure 6). - RMSF_adk: files containing the root-mean-square fluctuations of the C-alpha atoms/beads in the atomistic and CANVAS simulations of adk (Figure 6). - APBS_adk: PQR file of the system and DX file of the surface potential, for both the atomistic and CANVAS systems (Figure 7). - SASA_antibody: files containing the per-residue solvent accessible surface area of the atomistic region of the ake protein, in the atomistic and CANVAS simulations (Figure 8). - RMSF_antibody: files containing the root-mean-square fluctuations of the C-alpha atoms/beads in the atomistic and CANVAS simulations of antibody (Figure 9). - APBS_antibody: PQR file of the system and DX file of the surface potential, for both the atomistic and CANVAS systems (Figure 10). - SASA_antibody: files containing the per-residue solvent accessible surface area of the hinge region of the antibody for each conformational cluster, in the atomistic and CANVAS simulations (Figure 11). - RMSIP_antibody: RMSIP between the essential subspaces computed from the atomistic and CANVAS simulations (Figure S3). - rgyr_antibody: files containing the radii of gyration of the antibody for each conformational cluster, in the atomistic and CANVAS simulations (Figure S4). - ake_AA.mp4: video of the all-atom simulation of adenylate kinase - ake_canvas.mp4: video of the canvas simulation of adenylate kinase

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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