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Accelerated CDOCKER with GPUs, parallel simulated annealing and fast Fourier transforms
Fast Fourier transform (FFT)-based protein ligand docking together with parallel simulated annealing for both rigid and flexible receptor docking are implemented on graphical processing unit (GPU) accelerated platforms to significantly enhance the throughput of the CDOCKER and flexible CDOCKER — the...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7495732/ https://ncbi.nlm.nih.gov/pubmed/32374996 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00145 |
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