George Mason University Dataverse

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1,871 to 1,880 of 1,970 Results

NP_wb_ion .namd Feb 10, 2022 - Replication Data for: Active Site Prediction of Phosphorylated SARS-CoV-2 N-Protein Using Molecular Simulation Unknown - 7.2 KB - MD5: 961b60c57fe3dd2620404a2dca8150cf NAMD script
NP_wb_ion.psf Feb 10, 2022 - Replication Data for: Active Site Prediction of Phosphorylated SARS-CoV-2 N-Protein Using Molecular Simulation application/x-font-linux-psf - 10.3 MB - MD5: 36a4767163dcf5d7c2dda275f5144c6c PSF file from NAMD simulation
6ZPE.pdb Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning application/vnd.palm - 34.7 KB - MD5: 27dad315019a2081532dfbcb27ca9200 PDB structure file with initial structure
getphi.tcl Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning application/x-tcl - 578 B - MD5: 67b6413cec37c10b655ca26dc4d6bcf3 TCL code to extract phi and psi angles
NSP10.conf Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning Plain Text - 1.3 KB - MD5: 2827536c91c50ebc66bc5b207ef5628f NAMD configuration file
NSP10_param.namd Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning Unknown - 732 B - MD5: ab121bdee1c16799c6f9f66fb687a521 NAMD parameter file
NSP10.Rnw Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning Unknown - 1.6 KB - MD5: 0c97c988288671c51fada4cd1888053b
README.txt Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning Plain Text - 382 B - MD5: 5e276e3cc77ba4a4084fbe35889c8f47 File List
Arc_WaT.tbx Sep 21, 2021 - ArcGIS Wave Transformation toolbox - ArcWaT Unknown - 33.5 KB - MD5: 9cccd9169a18aa2d25f9dd4b7550c282 Code
ArcWaT_Tutorial_v1.docx Sep 21, 2021 - ArcGIS Wave Transformation toolbox - ArcWaT MS Word - 6.0 MB - MD5: 8e29aefbf8e7f9aabb44fedaa38d7ff2 Documentation

NP_wb_ion .namd

Feb 10, 2022 - Replication Data for: Active Site Prediction of Phosphorylated SARS-CoV-2 N-Protein Using Molecular Simulation

Unknown - 7.2 KB -

NAMD script

NP_wb_ion.psf

Feb 10, 2022 - Replication Data for: Active Site Prediction of Phosphorylated SARS-CoV-2 N-Protein Using Molecular Simulation

application/x-font-linux-psf - 10.3 MB -

PSF file from NAMD simulation

6ZPE.pdb

Jan 26, 2022 - Replication Data for: Optimizing Peptide Inhibitors of SARS-Cov-2 nsp10/nsp16 Methyltransferase Predicted through Molecular Simulation and Machine Learning

application/vnd.palm - 34.7 KB -

PDB structure file with initial structure