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- ELIXIR: The Czech Republic Node1
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Keyword
- AlphaFold2
- Drug design2
- Drug discovery2
- Drug screening2
- Molecular docking2
- QSAR2
- Quantum mechanics/molecular mechanics2
- in silico drug design2
- molecular modelling2
- AI based tools1
- AI structure prediction1
- AlphaFold Database1
- AlphaFold Database (13181)1
- ChEMBL1
- Chemical biology1
- Cheminformatics1
- De novo1
- De novo modeling1
- Deep Learning1
- PDBe1
- PDBe-KB1
- Pharmacophores1
- chemical biology1
- cheminformatics1
- deep learning1
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Scientific topic
- Biomolecular structure2
- Comparative modelling2
- Computational structural biology2
- Data acquisition2
- Data collecting2
- Data collection2
- Data gathering2
- Docking2
- Drug development2
- Drug development science2
- Drug discovery2
- Experimental techniques2
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- Lab method2
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- Medicine development2
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- Molecular modelling2
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- Biomathematics1
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- Computational biology1
- Computational chemistry1
- Computational pharmacology1
- DNA structure prediction1
- Mathematical biology1
- Nucleic acid design1
- Nucleic acid folding1
- Nucleic acid structure prediction1
- Pharmacoinformatics1
- Pharmacology1
- Protein fold recognition1
- Protein structure prediction1
- RNA structure prediction1
- Structure prediction1
- Theoretical biology1
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Operation
- Structure analysis
- Data handling25
- File handling25
- File processing25
- Processing25
- Report handling25
- Utility operation25
- Data brokering17
- Data deposition17
- Data deposition brokering17
- Data submission17
- Database deposition17
- Database submission17
- Data analysis6
- Data management planning6
- Data visualisation3
- Docking simulation3
- Macromolecular docking3
- Molecular docking3
- Molecular surface analysis3
- Molecular visualisation3
- Plotting3
- Rendering3
- Structure database search3
- Visualisation3
- Allele calling2
- Data formatting2
- Data reformatting2
- Exome variant detection2
- File format conversion2
- File formatting2
- File reformatting2
- Format conversion2
- Genome variant detection2
- Germ line variant calling2
- Molecular dynamics2
- Molecular dynamics simulation2
- Mutation detection2
- Optimisation and refinement2
- Protein dynamics2
- Somatic variant calling2
- Variant calling2
- Variant mapping2
- de novo mutation detection2
- Attribute selection1
- Binding site prediction1
- Biological pathway analysis1
- Biological pathway modelling1
- Biological pathway prediction1
- CG analysis1
- Chemical class enrichment1
- Chemical similarity enrichment1
- Contact map prediction1
- Data filtering1
- Expectation maximisation1
- Feature extraction1
- Feature projection1
- Feature selection1
- File format validation1
- Format validation1
- Functional clustering1
- Functional pathway analysis1
- Functional sequence clustering1
- Gibbs sampling1
- Hydrogen bond calculation1
- Hypothesis testing1
- Ligand-binding site detection1
- Ligand-binding site prediction1
- MD analysis1
- Nucleic Acid Dynamics Analysis1
- Omnibus test1
- Pathway analysis1
- Pathway comparison1
- Pathway modelling1
- Pathway prediction1
- Pathway simulation1
- Peptide-protein binding prediction1
- Protein Dynamics Analysis1
- Protein binding site detection1
- Protein binding site prediction1
- Protein contact map prediction1
- Protein design1
- Protein flexibility and motion analysis1
- Protein flexibility prediction1
- Protein folding pathway prediction1
- Protein motion prediction1
- Protein property calculation1
- Protein property calculation (from sequence)1
- Protein property calculation (from structure)1
- Protein property rendering1
- Protein redesign1
- Protein secondary structure visualisation1
- Protein structural property calculation1
- Protein structure prediction1
- RNA secondary structure visualisation1
- Rational protein design1
- Residue contact prediction1
- Residue interaction calculation1
- Residue interaction prediction1
- Sequence filtering1
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Event type
- Workshops and courses2
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- Czech Republic2
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- English2
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