Disco

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Disco

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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disco-crossdocking

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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Other names: disco-crossdocking

Disco Cross Docking Benchmark server for automated pose and ranking prediction of ligand binding.

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Cross-docking benchmark for automated pose and ranking prediction of ligand binding
PMID: 31721338

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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• Cross-docking benchmark for automated pose and ranking prediction of ligand binding PubMed citations: 9.

  9 articles citing: Cross-docking benchmark for automated pose and ranking prediction of ligand binding

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  A 3D structural SARS-CoV-2-human interactome to explore genetic and drug perturbations. PMID:34845387

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  Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach. PMID:34655403

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  A Structure Based Study of Selective Inhibition of Factor IXa over Factor Xa. PMID:34500804

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  Comprehensive virtual screening of 4.8 k flavonoids reveals novel insights into allosteric inhibition of SARS-CoV-2 MPRO. PMID:34326429

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  Druggable hot spots in trypanothione reductase: novel insights and opportunities for drug discovery revealed by DRUGpy. PMID:34181199

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  GNINA 1.0: molecular docking with deep learning. PMID:34108002

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  Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors. PMID:34075175

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  Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens. PMID:32899216

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  Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. PMID:32865404

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molecular modelling

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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drug discovery

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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small molecules

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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molecular biology

metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:10.304498

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molecular modelling drug discovery small molecule molecular biology