Other names: realvs
Toward Enhancing the Precision of Top Hits in Ligand-Based Virtual Screening of Drug Leads from Large Compound Databases.
drug discovery small molecule molecular modelling proteomics experiment
Anti-Inflamamtory Compounds Database for drug discovery.
Facilitating drug discovery with enriched comparative data of targeted agents.
Disco Cross Docking Benchmark server for automated pose and ranking prediction of ligand binding.
Database for drug repurposing, combination therapy, and replacement therapy.
PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different t ...
A resource for computational drug design and discovery
An Unbiased Data Set for Machine Learning and Virtual Screening. 15 target sets, 9780 actives,and 407839 inactives from high-confidence PubChem Bioassay data. LIT-PCBA: A dataset for virtual screeni ...
A Web Server and Interactive Web Repository of Small Ligand-Protein Binding Sites for Drug Design.
CompoundDB4j is an Integrated Drug Resource of Heterogeneous Chemical Databases.
CovPDB, a database solely dedicated to high-resolution cocrystal structures of biologically relevant cP–L complexes, curated from the Protein Data Bank
A platform for virtual screening and computer-aided drug designing.
Reframedb is a comprehensive open-access, drug repositioning screening set of 12,000 compounds that was assembled by combining three widely-used commercial drug competitive intelligence databases (Cla ...
In silico drug docking against SARS-CoV2 targets
a set of metadata to record transformative machine learning experiments with LINCS dataset
DrugCombDB is a comprehensive database dedicated to integrating drug combinations from various data sources, include 1) high-throughput screening assays of drug combinations, 2) external databases, an ...
Human kinase pocket database for drug design. BACKGROUND:The kinase pocket structural information is important for drug discovery targeting cancer or other diseases. Although some kinase sequence, st ...
Database platform to discover potential drugs and targets of COVID-19 at whole transcriptomic scale.
RNA aptamer 3D-structural modeling database.
An authentic learning approach to teaching cancer genomics. On this site you can both (a) make and upload, and (b) download and analyse simulated patient case studies.
Drug2Gene is a free multi-species drug-target knowledge base. It contains integrated and unified data of publicly available relations between drugs/compounds and their gene/protein targets gathered fr ...