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Qatar University
- Doha, Qatar
Highlights
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AutoMD
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Easy to get started with molecular dynamics simulation.
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CADD-Scripts
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Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
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CryFold
CryFold PublicForked from Wang-Lin-boop/CryFold
From cryo-EM density map to atomic structure
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GetPDB
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Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicates(Optional, maybe lost some conformation changed structures)…
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AlphaFoldDB_Processing
AlphaFoldDB_Processing PublicForked from Wang-Lin-boop/AlphaFoldDB_Processing
This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence of the disordered region to make it available for sequence m…
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