This repository includes all the input files for the PROTAC docking and virtual screening benchmark. The raw data files are available on request (all raw data files combined is ~70GB and compressed ~47GB). Researchers can access and download the data to reproduce the results. Details about files/folders is included in the README.txt
Abstract Background Small-molecule docking is an important tool in studying receptor-ligand interact...
Input Datasets and output data for the creation of a new Benchmark dataset using PubChem Bioassay da...
International audienceUsing the D3R Grand Challenge 4 dataset containing Beta-secretase 1 (BACE) and...
My goal is to test whether retrospective virtual screening approaches can guide the design of PROTAC...
Large-scale virtual screening has become a valuable tool for early-phase drug discovery. Recent expa...
The application of molecular benchmarking sets helps to assess the actual performance of virtual scr...
<p>This repository contains datasets for the manuscript "Practical model selection for prospective v...
A subset of the full EVcomplex supplementary data archive containing the input files used for HADDOC...
In this study, we propose a novel approach to evaluate virtual screening (VS) experiments based on t...
In this study, we propose a novel approach to evaluate virtual screening (VS) experiments based on t...
The data includes: output from the structure filtering protocol performed with RDKit using a Pyth...
Virtual screening (VS) is a computational methodology that streamlines the drug discovery process by...
This compressed file contains all datasets made for the validation of MUBDsyn. datasets_int_val: ...
This compressed file contains all datasets made for the validation of MUBDsyn. datasets_int_val: ...
Tar file containing the dataset used for the "Rational prediction of PROTAC compatible ligase-target...
Abstract Background Small-molecule docking is an important tool in studying receptor-ligand interact...
Input Datasets and output data for the creation of a new Benchmark dataset using PubChem Bioassay da...
International audienceUsing the D3R Grand Challenge 4 dataset containing Beta-secretase 1 (BACE) and...
My goal is to test whether retrospective virtual screening approaches can guide the design of PROTAC...
Large-scale virtual screening has become a valuable tool for early-phase drug discovery. Recent expa...
The application of molecular benchmarking sets helps to assess the actual performance of virtual scr...
<p>This repository contains datasets for the manuscript "Practical model selection for prospective v...
A subset of the full EVcomplex supplementary data archive containing the input files used for HADDOC...
In this study, we propose a novel approach to evaluate virtual screening (VS) experiments based on t...
In this study, we propose a novel approach to evaluate virtual screening (VS) experiments based on t...
The data includes: output from the structure filtering protocol performed with RDKit using a Pyth...
Virtual screening (VS) is a computational methodology that streamlines the drug discovery process by...
This compressed file contains all datasets made for the validation of MUBDsyn. datasets_int_val: ...
This compressed file contains all datasets made for the validation of MUBDsyn. datasets_int_val: ...
Tar file containing the dataset used for the "Rational prediction of PROTAC compatible ligase-target...
Abstract Background Small-molecule docking is an important tool in studying receptor-ligand interact...
Input Datasets and output data for the creation of a new Benchmark dataset using PubChem Bioassay da...
International audienceUsing the D3R Grand Challenge 4 dataset containing Beta-secretase 1 (BACE) and...
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