ritapaivademelo1979/psma-dual-target-docking-md: New version associated with JCIM submission

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Rita Melo
DOI: 10.5281/zenodo.18851571
Cited by: 0

Abstract

Computational workflows supporting Sobral et al., JCIM (2026). Includes AutoDock Vina docking setup, GROMACS 2024.4 MD parameter files, and Python analysis scripts for PSMA dual-target radioconjugates.

Fields of Study & Subjects

Computational Drug Discovery Methods Radiopharmaceutical Chemistry and Applications Protein Degradation and Inhibitors

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
3 March 2026
Language
EN