CrossDocker: a tool for performing cross-docking using Autodock Vina
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Sep 3, 2026 - Python
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cross-docking
Here are 8 public repositories matching this topic...
Uma maneira fácil de obter informações dos cross dockings das principais distribuidoras do brasil
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Aug 1, 2017 - PHP
Modelo de cross-docking em AMPL não indexado no tempo
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Oct 24, 2021
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Oct 17, 2022 - Python
Implementation of the ANSA algorithm
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May 5, 2025 - C++
A measured benchmark of three docking scoring functions on 308 protein-ligand complexes, reporting pose accuracy and physical validity together, with the success rate recomputed after removing the crystal starting conformer and the ligand-centred search box.
python bash benchmark bioinformatics cheminformatics computational-chemistry rdkit reproducibility scoring-functions virtual-screening rmsd cross-docking molecular-docking smina autodock-vina pose-prediction protein-ligand gnina structure-based-drug-design posebusters
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Sep 26, 2026 - Python
Modelo de Cross-docking em AMPL indexado no tempo
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Oct 16, 2021 - AMPL
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