[HTML][HTML] Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - nature.com
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, J Crawford, O Ganichkin… - Nature …, 2022 - europepmc.org
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - search.ebscohost.com
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - econpapers.repec.org
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

[PDF][PDF] Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - dora.lib4ri.ch
Results Selection of building blocks by docking Building block fragments of the two-
component chemical space (136,835 in total derived from the 71,894 building blocks (see …

[HTML][HTML] Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - ncbi.nlm.nih.gov
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - ideas.repec.org
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - ui.adsabs.harvard.edu
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - pubmed.ncbi.nlm.nih.gov
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.

P Beroza, JJ Crawford, O Ganichkin… - Nature …, 2022 - europepmc.org
With the ever-increasing number of synthesis-on-demand compounds for drug lead
discovery, there is a great need for efficient search technologies. We present the successful …