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Content provider
- ELIXIR: The Czech Republic Node3
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Keyword
- QSAR3
- in silico drug design3
- molecular modelling3
- AI based tools2
- AI structure prediction2
- AlphaFold2
- AlphaFold Database2
- AlphaFold Database (13181)2
- Chemical biology2
- Cheminformatics2
- De novo modeling2
- Deep Learning2
- Drug design2
- Drug discovery2
- Drug screening2
- Molecular docking2
- Pharmacophores2
- Quantum mechanics/molecular mechanics2
- Chemical biology (chemical-biology)1
- De novo1
- PDBe1
- PDBe-KB1
- drug discovery1
- molecular docking1
- pharmacophore1
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Scientific topic
- Biomolecular structure3
- Computational structural biology3
- DNA structure prediction3
- Data acquisition3
- Data collecting3
- Data collection3
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- Drug development3
- Drug development science3
- Drug discovery3
- Experimental techniques3
- Experiments3
- Lab method3
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- Laboratory experiments3
- Laboratory method3
- Laboratory techniques3
- Medicine development3
- Medicines development3
- Molecular structure3
- Nucleic acid design3
- Nucleic acid folding3
- Nucleic acid structure prediction3
- Protein fold recognition3
- Protein structure prediction3
- RNA structure prediction3
- Structural bioinformatics3
- Structure analysis3
- Structure data resources3
- Structure databases3
- Structure prediction3
- Structures3
- Biomathematics2
- Chemical informatics2
- Cheminformatics2
- Chemoinformatics2
- Comparative modelling2
- Computational biology2
- Computational chemistry2
- Computational pharmacology2
- Docking2
- Homology modeling2
- Homology modelling2
- Mathematical biology2
- Molecular docking2
- Molecular modelling2
- Pharmacoinformatics2
- Pharmacology2
- Theoretical biology2
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Operation
- Protein dynamics
- Data handling45
- File handling45
- File processing45
- Processing45
- Report handling45
- Utility operation45
- Data brokering23
- Data deposition23
- Data deposition brokering23
- Data submission23
- Database deposition23
- Database submission23
- Data analysis9
- Data management planning8
- Allele calling5
- Exome variant detection5
- Genome variant detection5
- Germ line variant calling5
- Mutation detection5
- Somatic variant calling5
- Variant calling5
- Variant mapping5
- de novo mutation detection5
- Data visualisation4
- Docking simulation4
- Macromolecular docking4
- Molecular docking4
- Molecular surface analysis4
- Molecular visualisation4
- Plotting4
- Rendering4
- Structure database search4
- Visualisation4
- Data formatting3
- Data reformatting3
- File format conversion3
- File formatting3
- File reformatting3
- Format conversion3
- Functional genome annotation3
- Genome annotation3
- Metagenome annotation3
- Molecular dynamics3
- Molecular dynamics simulation3
- Optimisation and refinement3
- Structural genome annotation3
- Structure analysis3
- Attribute selection2
- Binding site prediction2
- CG analysis2
- Chemical class enrichment2
- Chemical similarity enrichment2
- Contact map prediction2
- Data filtering2
- Feature extraction2
- Feature projection2
- Feature selection2
- File format validation2
- Format validation2
- Hydrogen bond calculation2
- Ligand-binding site detection2
- Ligand-binding site prediction2
- MD analysis2
- Nucleic Acid Dynamics Analysis2
- 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
- Sequence filtering2
- Simulation analysis2
- Structural property calculation2
- Trajectory analysis2
- Trajectory visualization2
- Variable selection2
- Variable subset selection2
- rRNA filtering2
- Alternative splicing analysis1
- Alternative splicing detection1
- Alternative splicing prediction1
- Annotation1
- Biological pathway analysis1
- Biological pathway modelling1
- Biological pathway prediction1
- Breakend assembly1
- Cartography1
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Event type
- Workshops and courses3
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- Czech Republic2
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Language
- English2
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