9 citations · 9 across the 1 of their papers we have counts for
2 papers
q-bio.QM2022★ 9 cited
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration
Pavol Ulbrich, Manuela Waldner, Katarína Furmanová +4
We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a fra…
physics.bio-ph2018
CaverDock: A Novel Method for the Fast Analysis of Ligand Transport
Jiří Filipovič, Ondřej Vávra, Jan Plhák +5
Here we present a novel method for the analysis of transport processes in proteins and its implementation called CaverDock. Our method is based on a modified molecular docking algo…