Llwytho...

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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Theory Comput
Prif Awduron: Ding, Xinqiang, Wu, Yujin, Wang, Yanming, Vilseck, Jonah Z., Brooks, Charles L.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2020
Pynciau:
Mynediad Ar-lein: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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