2 citations · 2 across the 2 of their papers we have counts for
2 papers
q-bio.QM2021★ 2 cited
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…
cs.RO2016
Collision-Free Poisson Motion Planning in Ultra High-Dimensional Molecular Conformation Spaces
Rasmus Fonseca, Dominik Budday, Henry van den Bedem
The function of protein, RNA, and DNA is modulated by fast, dynamic exchanges between three-dimensional conformations. Conformational sampling of biomolecules with exact and nullsp…