21 citations · 35 across the 5 of their papers we have counts for
5 papers
Fold-CP: A Context Parallelism Framework for Biomolecular Modeling
Dejun Lin, Simon Chu, Vishanth Iyer +35
Understanding cellular machinery requires atomic-scale reconstruction of large biomolecular assemblies. However, predicting the structures of these systems has been constrained by…
An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries
Aryan Pedawi, Pawel Gniewek, Chaoyi Chang +2
Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witn…
Learning physics confers pose-sensitivity in structure-based virtual screening
Pawel Gniewek, Bradley Worley, Kate Stafford +2
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…
Jamming by growth
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. Experiments have found that jammed budding yeas…
Fluid flow through packings of elastic shells
Pawel Gniewek, Oskar Hallatschek
Fluid transport in porous materials is commonly studied in geological samples (soil, sediments etc.) or idealized systems, but the fluid flow through compacted granular materials,…