Published June 27, 2023
| Version v2
Dataset
Open
Benchmark Data Set for Two-Step Covalent Docking with Attracting Cavities
Authors/Creators
- 1. SIB Swiss Institute of Bioinformatics
- 2. University of Lausanne (UNIL)
Description
This repository contains relevant data from the study:
M. Goullieux, V. Zoete, U.F. Roehrig
Two-Step Covalent Docking with Attracting Cavities
Notes
This research was funded by the Swiss National Science Foundation (SNSF, grant No. 184993).
Files
Files
(570.0 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:c993413150c01c8660294006b05e545a
|
1.2 kB | Download |
|
md5:cc6e7676439c2bbe9da5d3fa6154eb1e
|
113.7 kB | Download |
|
md5:928990d16f27cdaa36a009b2261e97cc
|
19.1 kB | Download |
|
md5:208f8073cccfc4add1f0eb9758eb677d
|
569.8 MB | Download |
Additional details
Funding
- Swiss National Science Foundation
- Attracting Cavities with Quantum Interactions (ACQUAINT): QM/MM Docking of Covalent and Noncovalent Ligands 200021_184993