Published February 13, 2022
| Version v2
Dataset
Open
Salt Induced Transitions in Structural Ensemble of Intrinsically Disordered Proteins
Authors/Creators
- 1. University of Texas at Austin
- 2. Indian Institute of Science
Description
Simulation data and the corrosponding analysis script for the work "Salt Induced Transitions in Conformational Ensemble of Intrinsically Disordered Proteins " by Hiranmay Maity, Lipika Baidya and Govardhan reddy are deposited here.
Analysis Scripts:
The scripts for analysing the simulation data are in analysis_script.zip. The folder contains:
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autocorrelation.c : code for calculating end_to_end distance autocorrelation function with time in C.
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average_property.cpp: code for calculating average property such as radius of gyration (Rg) from trajectory files in C++.
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calculate_saxs_kratky.c: code for calculating scattering profile (SAXS and Kratky) from simulation data in C.
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compute_contact_map.cpp: code for calculating contact map in C.
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probablity_distribution.c: code for calculating probablity distribution of Rg in C.
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structure_factor.c: code for calculating structure factor in C.
Files
Files
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md5:c4133d36766a5bf359decdfd8e0719a6
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67.2 MB | Download |
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md5:26bf6d0d50839e9c2cebf13cd7a5c599
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67.2 MB | Download |
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md5:7fbe37936d5b07ae3182c81a7f9b6b0e
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67.2 MB | Download |
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md5:dad21f5edc7d43f98c03d15254a34fd4
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67.2 MB | Download |
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md5:210ba709e00077bec6ac232849643793
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18.1 MB | Download |
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md5:33e0347aad27baf4434f0f79336b5c50
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67.2 MB | Download |
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md5:67f0535bee5e0eedc5947efdffbd6afd
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67.2 MB | Download |
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md5:b188e5b16bbfd0d0f54e2a8b1289cde6
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67.2 MB | Download |
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md5:fe5d02e1b94a628069dd6e09869552ef
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67.2 MB | Download |
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md5:880a446f16763a5d6eeeb0d67234aa79
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67.2 MB | Download |