1 code implementation • 19 Oct 2022 • Aryan Pedawi, Pawel Gniewek, Chaoyi Chang, Brandon M. Anderson, Henry van den Bedem
Compounds proposed by our method are guaranteed to be in the library, and thus synthetically and cost-effectively accessible.
no code implementations • 28 Oct 2021 • Pawel Gniewek, Bradley Worley, Kate Stafford, Henry van den Bedem, Brandon Anderson
In drug discovery, structure-based virtual high-throughput screening (vHTS) campaigns aim to identify bioactive ligands or "hits" for therapeutic protein targets from docked poses at specific binding sites.
1 code implementation • 3 Oct 2018 • Pawel Gniewek, Carl F Schreck, Oskar Hallatschek
Growth in confined spaces can drive cellular populations through a jamming transition from a fluid-like state to a solid-like state.
Soft Condensed Matter
1 code implementation • 1 Jul 2018 • Pawel Gniewek, Oskar Hallatschek
Fluid transport in porous materials is commonly studied in geological samples (soil, sediments etc.)
Soft Condensed Matter