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AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability
Molecular docking is widely used in computed drug discovery and biological target identification, but getting fast results can be tedious and often requires supercomputing solutions. AMIDE stands for AutoMated Inverse Docking Engine. It was initially developed in 2014 to perform inverse docking on H...
Autores principales: | Darme, Pierre, Dauchez, Manuel, Renard, Arnaud, Voutquenne-Nazabadioko, Laurence, Aubert, Dominique, Escotte-Binet, Sandie, Renault, Jean-Hugues, Villena, Isabelle, Steffenel, Luiz-Angelo, Baud, Stéphanie |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8307493/ https://www.ncbi.nlm.nih.gov/pubmed/34299110 http://dx.doi.org/10.3390/ijms22147489 |
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