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- ELIXIR: The Czech Republic Node3
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Keyword
- QSAR4
- in silico drug design4
- molecular modelling4
- AlphaFold3
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Scientific topic
- Biomolecular structure4
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Operation
- Docking simulation4
- Macromolecular docking4
- Molecular docking4
- Molecular surface analysis4
- Structure database search4
- Molecular dynamics3
- Molecular dynamics simulation3
- Protein dynamics3
- Structure analysis3
- Attribute selection2
- Binding site prediction2
- CG analysis2
- Chemical class enrichment2
- Chemical similarity enrichment2
- Contact map prediction2
- Feature extraction2
- Feature projection2
- Feature selection2
- Hydrogen bond calculation2
- Ligand-binding site detection2
- Ligand-binding site prediction2
- MD analysis2
- Nucleic Acid Dynamics Analysis2
- Optimisation and refinement2
- Peptide-protein binding prediction2
- Protein Dynamics Analysis2
- Protein binding site detection2
- Protein binding site prediction2
- Protein contact map prediction2
- Protein flexibility and motion analysis2
- Protein flexibility prediction2
- Protein folding pathway prediction2
- Protein motion prediction2
- Protein property calculation2
- Protein property calculation (from sequence)2
- Protein property calculation (from structure)2
- Protein property rendering2
- Protein structural property calculation2
- Protein structure prediction2
- Residue contact prediction2
- Residue interaction calculation2
- Residue interaction prediction2
- Simulation analysis2
- Structural property calculation2
- Trajectory analysis2
- Trajectory visualization2
- Variable selection2
- Variable subset selection2
- Protein secondary structure visualisation1
- RNA secondary structure visualisation1
- Structure rendering1
- Structure visualisation1
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Tool
- PyMOL
- AutoDock Vina7
- SPCI7
- AlphaFold 25
- AlphaCharges2
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- PDBe2
- TmAlphaFold database2
- CAVER1
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- FireProt 2.01
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- FireProtDB1
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- LoopGrafter1
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- SoluProt1
- SoluProtMutsupDB1
- Tamarind1
- pyCaverDock1
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Event type
- Workshops and courses4
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- Czech Republic3
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- English3
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