QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures

David Kastner, Weiliang Luo, Wilson Ho, Clorice Reinhardt, Allison Keys, Heather J. Kulik
April 2026
ChemRxiv
Type
Journal article
Publication
J. Chem. Inf. Model., in press
David Kastner
David Kastner
Graduate Student
Weiliang Luo
Weiliang Luo
Graduate Student
Wilson Ho
Wilson Ho
UROP
Clorice Reinhardt
Clorice Reinhardt
Postdoctoral Fellow
Allison Keys
Allison Keys
Graduate Student
Heather J. Kulik
Heather J. Kulik
Professor of Chemical Engineering and Chemistry