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- SAMPL_Challenge abstract "SAMPL (Statistical Assessment of the Modeling of Proteins and Ligands) is a community-wide blind challenge to assess the performance of computational methods, solvent models and force fields. Previous testing systems include proteins, host-guest complexes, and small molecules. Properties related to rational drug design such as binding affinity and hydration free energy have been tested in the form of blind prediction, which means the experimental measurements are withheld from participants until the prediction submission deadline. The most recent SAMPL5 challenge contains two prediction categories: the binding thermodynamics of host-guest systems, and the partition coefficient of drug-like molecules.".
- SAMPL_Challenge wikiPageExternalLink sampl.
- SAMPL_Challenge wikiPageID "49399383".
- SAMPL_Challenge wikiPageLength "3763".
- SAMPL_Challenge wikiPageOutDegree "19".
- SAMPL_Challenge wikiPageRevisionID "707295708".
- SAMPL_Challenge wikiPageWikiLink Binding.
- SAMPL_Challenge wikiPageWikiLink Category:Computational_chemistry.
- SAMPL_Challenge wikiPageWikiLink Category:Distributed_computing_projects.
- SAMPL_Challenge wikiPageWikiLink Category:Drug_discovery.
- SAMPL_Challenge wikiPageWikiLink Computational_chemistry.
- SAMPL_Challenge wikiPageWikiLink Drug_design.
- SAMPL_Challenge wikiPageWikiLink Drug_discovery.
- SAMPL_Challenge wikiPageWikiLink Force_field.
- SAMPL_Challenge wikiPageWikiLink Host–guest_chemistry.
- SAMPL_Challenge wikiPageWikiLink Lead_compound.
- SAMPL_Challenge wikiPageWikiLink Ligand_(biochemistry).
- SAMPL_Challenge wikiPageWikiLink Molecular_binding.
- SAMPL_Challenge wikiPageWikiLink Molecular_dynamics.
- SAMPL_Challenge wikiPageWikiLink Molecular_mechanics.
- SAMPL_Challenge wikiPageWikiLink Molecular_recognition.
- SAMPL_Challenge wikiPageWikiLink Partition_coefficient.
- SAMPL_Challenge wikiPageWikiLink Protein.
- SAMPL_Challenge wikiPageWikiLink Thermodynamics.
- SAMPL_Challenge wikiPageWikiLink Water_model.
- SAMPL_Challenge wikiPageUsesTemplate Template:Columns-list.
- SAMPL_Challenge wikiPageUsesTemplate Template:Reflist.
- SAMPL_Challenge subject Category:Computational_chemistry.
- SAMPL_Challenge subject Category:Distributed_computing_projects.
- SAMPL_Challenge subject Category:Drug_discovery.
- SAMPL_Challenge hypernym Challenge.
- SAMPL_Challenge type SportsEvent.
- SAMPL_Challenge comment "SAMPL (Statistical Assessment of the Modeling of Proteins and Ligands) is a community-wide blind challenge to assess the performance of computational methods, solvent models and force fields. Previous testing systems include proteins, host-guest complexes, and small molecules.".
- SAMPL_Challenge label "SAMPL Challenge".
- SAMPL_Challenge wasDerivedFrom SAMPL_Challenge?oldid=707295708.
- SAMPL_Challenge isPrimaryTopicOf SAMPL_Challenge.