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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
- Data gathering3
- Drug development3
- Drug development science3
- Drug discovery3
- Experimental techniques3
- Experiments3
- Lab method3
- Lab techniques3
- 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
- Docking simulation4
- Macromolecular docking4
- Molecular docking4
- Molecular surface analysis4
- Structure database search4
- Molecular dynamics3
- Molecular dynamics simulation3
- 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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Event type
- Workshops and courses3
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Country
- Czech Republic2
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Language
- English2
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