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Content provider
- ELIXIR: The Czech Republic Node5
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Keyword
- AlphaFold3
- Drug design3
- Drug discovery3
- Drug screening3
- Molecular docking3
- QSAR3
- Quantum mechanics/molecular mechanics3
- in silico drug design3
- molecular modelling3
- AI based tools2
- AI structure prediction2
- AlphaFold Database2
- AlphaFold Database (13181)2
- Chemical biology2
- Cheminformatics2
- De novo modeling2
- Deep Learning2
- Pharmacophores2
- ChEMBL1
- De novo1
- PDBe1
- PDBe-KB1
- Research Data Management1
- chemical biology1
- cheminformatics1
- deep learning1
- pharmacophore1
- protein drug design1
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Scientific topic
- Biomathematics3
- Biomolecular structure3
- Comparative modelling3
- Computational biology3
- Computational structural biology3
- Data acquisition3
- Data collecting3
- Data collection3
- Data gathering3
- Docking3
- Drug development3
- Drug development science3
- Drug discovery3
- Experimental techniques3
- Experiments3
- Homology modeling3
- Homology modelling3
- Lab method3
- Lab techniques3
- Laboratory experiments3
- Laboratory method3
- Laboratory techniques3
- Mathematical biology3
- Medicine development3
- Medicines development3
- Molecular docking3
- Molecular modelling3
- Molecular structure3
- Structural bioinformatics3
- Structure analysis3
- Structure data resources3
- Structure databases3
- Structures3
- Theoretical biology3
- Chemical informatics2
- Cheminformatics2
- Chemoinformatics2
- Computational chemistry2
- Computational pharmacology2
- DNA structure prediction2
- Nucleic acid design2
- Nucleic acid folding2
- Nucleic acid structure prediction2
- Pharmacoinformatics2
- Pharmacology2
- Protein fold recognition2
- Protein structure prediction2
- RNA structure prediction2
- Structure prediction2
- Exomes1
- Genome annotation1
- Genomes1
- Genomics1
- Personal genomics1
- Synthetic genomics1
- Viral genomics1
- Whole genomes1
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Operation
- Docking simulation3
- Macromolecular docking3
- Molecular docking3
- Molecular surface analysis3
- Structure analysis3
- Structure database search3
- 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
- Molecular dynamics2
- Molecular dynamics simulation2
- 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
- Trajectory analysis2
- Trajectory visualization2
- Variable selection2
- Variable subset selection2
- Functional genome annotation1
- Genome annotation1
- Metagenome annotation1
- Protein design1
- Protein redesign1
- Rational protein design1
- Structural genome annotation1
- de novo protein design1
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Tool
- AlphaFold 24
- AutoDock Vina3
- PyMOL3
- SPCI3
- AlphaCharges2
- AlphaFill2
- AlphaFind2
- TmAlphaFold database2
- CAVER1
- CAVER Web1
- CalFitter1
- CaverDock1
- EnzymeMiner1
- FireProt1
- FireProt 2.01
- FireProt ASR1
- FireProtDB1
- HotSpot Wizard1
- LoopGrafter1
- SoluProt1
- SoluProtMutsupDB1
- Tamarind1
- pyCaverDock1
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Venue
- Faculty of Science, Palacky University Olomouc, 17. listopadu 1192/122
- 17. listopadu 1192/12, 12 17. listopadu1
- Kamenice 5 625 00 Brno-Bohunice Česko1
- The workshop will take place at the Institute of Plant Molecular Biology building at the Academy of Sciences and University campus in České Budějovice, Branisovska 31, Czech Republic (http://goo.gl/maps/G74MI).1
- University Centre Telč, náměstí Zachariáše z Hradce 21
- Vila Lanna V Sadech 1 160 00 Praha 6 – Bubeneč1
- the University Campus Bohunice (Masaryk University)1
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Country
- Czech Republic7
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Language
- English
- Czech1
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