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Content provider
- ELIXIR: The Czech Republic Node2
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Keyword
- Cheminformatics
- QSAR4
- in silico drug design4
- molecular modelling4
- AlphaFold3
- Drug design3
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- AlphaFold Database (13181)2
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- pharmacophore2
- ChEMBL1
- Chemical biology (chemical-biology)1
- chemical biology1
- cheminformatics1
- deep learning1
- drug discovery1
- molecular docking1
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Scientific topic
- Biomathematics2
- Biomolecular structure2
- Chemical informatics2
- Cheminformatics2
- Chemoinformatics2
- Comparative modelling2
- Computational biology2
- Computational chemistry2
- Computational pharmacology2
- Computational structural biology2
- DNA structure prediction2
- Data acquisition2
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- Drug development science2
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- Mathematical biology2
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- Molecular modelling2
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- Nucleic acid design2
- Nucleic acid folding2
- Nucleic acid structure prediction2
- Pharmacoinformatics2
- Pharmacology2
- Protein fold recognition2
- Protein structure prediction2
- RNA structure prediction2
- Structural bioinformatics2
- Structure analysis2
- Structure data resources2
- Structure databases2
- Structure prediction2
- Structures2
- Theoretical biology2
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Operation
- Attribute selection2
- Binding site prediction2
- CG analysis2
- Chemical class enrichment2
- Chemical similarity enrichment2
- Contact map prediction2
- Docking simulation2
- Feature extraction2
- Feature projection2
- Feature selection2
- Hydrogen bond calculation2
- Ligand-binding site detection2
- Ligand-binding site prediction2
- MD analysis2
- Macromolecular docking2
- Molecular docking2
- Molecular dynamics2
- Molecular dynamics simulation2
- Molecular surface 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 dynamics2
- 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
- Structure analysis2
- Structure database search2
- Trajectory analysis2
- Trajectory visualization2
- Variable selection2
- Variable subset selection2
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Event type
- Workshops and courses2
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Country
- Czech Republic2
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Language
- English2
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