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Content provider
- ELIXIR: The Czech Republic Node9
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Keyword
- QSAR7
- in silico drug design7
- molecular modelling7
- pharmacophore5
- molecular docking4
- AlphaFold3
- Drug design3
- Drug discovery3
- Drug screening3
- Molecular docking3
- PDBe3
- Quantum mechanics/molecular mechanics3
- AI based tools2
- AI structure prediction2
- AlphaFold Database2
- AlphaFold Database (13181)2
- Chemical biology2
- Chemical biology (chemical-biology)2
- Cheminformatics2
- De novo2
- De novo modeling2
- Deep Learning2
- PDBe-KB2
- Pharmacophores2
- drug discovery2
- virtual screening2
- Autodock Vina1
- ChEMBL1
- ChEMBL: Bioactive data for drug discovery (5496)1
- Deep learning1
- LigandScout1
- Research Data Management1
- chemical biology1
- cheminformatics1
- deep learning1
- protein drug design1
- reaction modelling1
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Scientific topic
- Biomolecular structure4
- Computational structural biology4
- Data acquisition4
- Data collecting4
- Data collection4
- Data gathering4
- Drug development4
- Drug development science4
- Drug discovery4
- Experimental techniques4
- Experiments4
- Lab method4
- Lab techniques4
- Laboratory experiments4
- Laboratory method4
- Laboratory techniques4
- Medicine development4
- Medicines development4
- Molecular structure4
- Structural bioinformatics4
- Structure analysis4
- Structure data resources4
- Structure databases4
- Structures4
- Biomathematics3
- Comparative modelling3
- Computational biology3
- DNA structure prediction3
- Docking3
- Homology modeling3
- Homology modelling3
- Mathematical biology3
- Molecular docking3
- Molecular modelling3
- Nucleic acid design3
- Nucleic acid folding3
- Nucleic acid structure prediction3
- Protein fold recognition3
- Protein structure prediction3
- RNA structure prediction3
- Structure prediction3
- Theoretical biology3
- Chemical informatics2
- Cheminformatics2
- Chemoinformatics2
- Computational chemistry2
- Computational pharmacology2
- Pharmacoinformatics2
- Pharmacology2
- Bioinformatics1
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Operation
- Docking simulation4
- Macromolecular docking4
- Molecular docking4
- Molecular surface analysis4
- Structure database search4
- Molecular dynamics3
- Molecular dynamics simulation3
- Protein dynamics3
- 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
- Design1
- Protein design1
- Protein redesign1
- Protein secondary structure visualisation1
- RNA secondary structure visualisation1
- Rational protein design1
- Structure rendering1
- Structure visualisation1
- de novo protein design1
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Tool
- AutoDock Vina7
- SPCI7
- AlphaFold 25
- PyMOL4
- AlphaCharges2
- AlphaFill2
- AlphaFind2
- PDBe2
- TmAlphaFold database2
- CAVER1
- CAVER Web1
- CalFitter1
- CaverDock1
- ChEMBL1
- EnzymeMiner1
- FireProt1
- FireProt 2.01
- FireProt ASR1
- FireProtDB1
- HotSpot Wizard1
- LoopGrafter1
- PDBe-KB1
- SoluProt1
- SoluProtMutsupDB1
- Tamarind1
- pyCaverDock1
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Venue
- Faculty of Science, Palacky University Olomouc, 17. listopadu 1192/122
- Palacky University Olomouc (UPOL) Faculty of Science tř. 17. listopadu 12 rooms 3.002 (tutorials/challenge), 3.003 (lectures) Olomouc 77900 Czech Republic2
- 17. listopadu 1192/12, 12 17. listopadu1
- 17. listopadu, 17. listopadu1
- Castle Hotel Třešť1
- Kamenice 5 625 00 Brno-Bohunice Česko1
- Palacky University Olomouc (UPOL) Faculty of Science tř. 17. listopadu 12, Olomouc 77900, Czech Republic rooms 3.002 (tutorials/challenge), 3.003 (lectures)1
- Vila Lanna V Sadech 1 160 00 Praha 6 – Bubeneč1
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Sponsor
- ELIXIR CZ
- ELIXIR Belgium186
- NERC28
- Vlaams Supercomputer Centrum28
- SciComm Academy27
- ELIXIR Europe23
- German Network for Bioinformatics Infrastructure Service, Training, Cooperations & Cloud Computing22
- Centre for Digital Life Norway19
- Australian BioCommons15
- Melbourne Bioinformatics12
- The University of Melbourne12
- University of Freiburg12
- ELIXIR9
- Helis Academy9
- Erasmus Medical Center8
- Institut Français de Bioinformatique8
- NanoCommons8
- ABRomics7
- Digital Scholarship Centre (University of Oslo)7
- ELIXIR Norway7
- ELIXIR-CONVERGE7
- Ghent University7
- Avans Hogeschool6
- European Union6
- Flanders BioImaging6
- The Carpentries6
- The Pennsylvania State University6
- ELIXIR Converge5
- ELIXIR Italy5
- This course is funded as part of the UKRI Innovation Scholars. Data Science Training in Health and Bioscience call (DaSH). (MR/V038966/1)5
- de.NBI5
- EU H20204
- H3ABioNet4
- Ministry of Science, Research and Arts4
- Palacky University Olomouc4
- Pôle National de Données de Biodiversité4
- 101100604 - DIGITAL-2022-TRAINING-023
- Aurora Alliance3
- BePa3
- COST Association3
- Co-funded by the European Commission3
- European Commission3
- FWO3
- German Competence Center Cloud Technologies for Data Management and Processing3
- INB/ELIXIR-ES3
- Interreg Vlaanderen-Nederland3
- Merck3
- NanoSolveIT3
- Palacký University Olomouc3
- RDA-Portugal3
- SciLifeLab3
- BD2
- Bioké2
- AIBIO-UK2
- BIOMEÇ2
- BioExcel2
- BioMedData2
- Brazilian Biophysical Society2
- ELIXIR EXCELERATE2
- ELIXIR Training Platform2
- ELIXIR-IIB2
- ELIXIR-SE2
- ELIXIR-UK2
- EMBO2
- EOSC | FAIR2Adapt2
- EOSC-Life2
- ERASMUS+2
- EU H2020 NanoCommons2
- Elixir Belgium2
- European Union - NextGenerationEU2
- Flanders2
- Funded by the European Union2
- Futuros Sustentáveis2
- Genscript2
- IFB2
- IRCCS Ospedale San Raffaele2
- LINQ management GmbH2
- MetaboHUB2
- Muséum national d'Histoire naturelle2
- NBIS2
- NFDI4Microbiota2
- PRR - Recovery and Resilience Plan2
- Pan-Africa network for genomic surveillance of poverty related diseases and emerging pathogens2
- Pan-African Consortium for the Evaluation of Antituberculosis Antibiotics2
- Provincie Antwerpen2
- RFMF2
- Recovery and Resilience Plan2
- Research Council of Norway2
- South African National Bioinformatics Institute, University of the Western Cape2
- Spanish National Bioinformatics Institute (INB/ELIXIR-ES)2
- Spanish Supercomputing Network (RES)2
- Swiss Institute of Bioinformatics (SIB)2
- Swiss Tropical and Public Health Institute2
- The European & Developing Countries Clinical Trials Partnership2
- The European Union2
- The Foundation for Innovative New Diagnostics2
- Twist Bioscience2
- Universidade Federal Do Rio de Janeiro (UFRJ)2
- Università Vita-Salute San Raffaele2
- Vlaanderen2
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Language
- English5
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