DD-03B supplies 0.3 billion simulation frames from 19k ligand-protein dissociations together with assigned koff rates and a three-type mechanistic classification.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.comp-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
A Massively Scalable Ligand-Protein Dissociation Dynamic Database Derived from Atomistic Molecular Modelling
DD-03B supplies 0.3 billion simulation frames from 19k ligand-protein dissociations together with assigned koff rates and a three-type mechanistic classification.