About: covid:PMC7176223

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An Entity of Type : owl:Thing, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
Creator	Hayward, Matthew Bikker, Jack Narasimhan, Lakshmi Bikker, J. Ellingboe, J. Freeman-Cook, K. Gilbert, A. Harrison, R. Kung, D. Lipinski, C. Morin, J. Narasimhan, L. Paslay, J. Pellecchia, M.
is schema:about of	named entity 'VIRTUAL SCREENING' named entity 'Virtual Screening' named entity 'binding energy' named entity 'false positives' named entity 'α-santonin' named entity 'catalytic domain' named entity 'medicinal chemists' named entity 'pharmacophore' named entity 'ligand' named entity 'active site' named entity 'pharmacophore' named entity 'aliphatic' named entity 'similarity function' named entity 'pharmacophoric' named entity 'dopamine' named entity 'blood-brain barrier' named entity 'information extraction' named entity 'scoring function' named entity 'database' named entity '5-lipoxygenase' named entity 'functional groups' named entity 'molecule' named entity 'protein' named entity 'DMSO' named entity 'crystal structure' named entity 'osteoporosis' named entity 'molecule' named entity 'entropy' named entity 'K i' named entity 'tautomers' named entity 'pharmacophore' named entity 'dopamine' named entity 'ligands' named entity 'Molecular Discovery' named entity 'HIV' named entity 'pharmacophore' named entity 'PDE1' named entity 'chemical compounds' named entity 'ligand' named entity 'protein' named entity 'physical properties' named entity 'pharmacophore' named entity 'enrichment factor' named entity 'RNA' named entity 'follow-up' named entity 'fluorescence polarization' named entity 'pharmacophores' named entity 'enzyme' named entity 'high throughput screening' named entity 'diabetes' named entity 'small molecule' named entity 'database' named entity 'make it happen' named entity 'lipophilicity' named entity 'HIV integrase' named entity 'biological activity' named entity 'Chemistry' named entity 'academic research' named entity 'database' named entity 'binding sites' named entity 'Protein' named entity 'Monte Carlo' named entity 'pharmacophore' named entity 'scoring function' named entity 'heme' named entity 'ADME' named entity 'free energy' named entity 'enzyme' named entity 'QSAR' named entity 'molecule' named entity 'QXP' named entity 'drug discovery' named entity 'large molecules' named entity 'Hammerhead' named entity 'OpenEye' named entity 'CONCORD' named entity 'pharmacophore' named entity 'positive and negative' named entity 'hydroxysteroids' named entity 'Evolutionary algorithms' named entity 'database' named entity 'hydrogen bond donors' named entity 'biological activity' named entity 'ligands' named entity 'HTS' named entity 'database'

Attributes

Values

Creator

Hayward, Matthew
Bikker, Jack
Narasimhan, Lakshmi
Bikker, J.
Ellingboe, J.
Freeman-Cook, K.
Gilbert, A.
Harrison, R.
Kung, D.
Lipinski, C.
Morin, J.
Narasimhan, L.
Paslay, J.
Pellecchia, M.

is schema:about of

named entity 'VIRTUAL SCREENING'
named entity 'Virtual Screening'
named entity 'binding energy'
named entity 'false positives'
named entity 'α-santonin'
named entity 'catalytic domain'
named entity 'medicinal chemists'
named entity 'pharmacophore'
named entity 'ligand'
named entity 'active site'
named entity 'pharmacophore'
named entity 'aliphatic'
named entity 'similarity function'
named entity 'pharmacophoric'
named entity 'dopamine'
named entity 'blood-brain barrier'
named entity 'information extraction'
named entity 'scoring function'
named entity 'database'
named entity '5-lipoxygenase'
named entity 'functional groups'
named entity 'molecule'
named entity 'protein'
named entity 'DMSO'
named entity 'crystal structure'
named entity 'osteoporosis'
named entity 'molecule'
named entity 'entropy'
named entity 'K i'
named entity 'tautomers'
named entity 'pharmacophore'
named entity 'dopamine'
named entity 'ligands'
named entity 'Molecular Discovery'
named entity 'HIV'
named entity 'pharmacophore'
named entity 'PDE1'
named entity 'chemical compounds'
named entity 'ligand'
named entity 'protein'
named entity 'physical properties'
named entity 'pharmacophore'
named entity 'enrichment factor'
named entity 'RNA'
named entity 'follow-up'
named entity 'fluorescence polarization'
named entity 'pharmacophores'
named entity 'enzyme'
named entity 'high throughput screening'
named entity 'diabetes'
named entity 'small molecule'
named entity 'database'
named entity 'make it happen'
named entity 'lipophilicity'
named entity 'HIV integrase'
named entity 'biological activity'
named entity 'Chemistry'
named entity 'academic research'
named entity 'database'
named entity 'binding sites'
named entity 'Protein'
named entity 'Monte Carlo'
named entity 'pharmacophore'
named entity 'scoring function'
named entity 'heme'
named entity 'ADME'
named entity 'free energy'
named entity 'enzyme'
named entity 'QSAR'
named entity 'molecule'
named entity 'QXP'
named entity 'drug discovery'
named entity 'large molecules'
named entity 'Hammerhead'
named entity 'OpenEye'
named entity 'CONCORD'
named entity 'pharmacophore'
named entity 'positive and negative'
named entity 'hydroxysteroids'
named entity 'Evolutionary algorithms'
named entity 'database'
named entity 'hydrogen bond donors'
named entity 'biological activity'
named entity 'ligands'
named entity 'HTS'
named entity 'database'

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