Benchmark Data for Attracting Cavities 2.0 Small-Molecular Docking Program

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Authors

Ute F. Roehrig · SIB Swiss Institute of Bioinformatics

Mathilde Goullieux · SIB Swiss Institute of Bioinformatics

Marine Bugnon · SIB Swiss Institute of Bioinformatics

Abstract

This repository provides data from the following article: U.F. Roehrig, M. Goullieux, M. Bugnon, V. Zoete, Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking. J. Chem. Inf. Modeling 2023 https://doi.org/10.1021/acs.jcim.3c00054

Topics & Keywords

Quantum-Dot Cellular Automata Quantum Information and Cryptography Particle accelerators and beam dynamics

Publication Details

Published in: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.7940100

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Benchmark Data for Attracting Cavities 2.0 Small-Molecular Docking Program

Authors

Abstract

Topics & Keywords

Publication Details