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PreprintAll rights reservedbioRxiv

A Structure-Based hERG Pose Selection Workflow Integrating Induced-Fit Docking, Shape Similarity, Interaction Fingerprints, and Molecular Dynamics

  • P. Neema
  • U. Ozuguzel
  • S. Najafian
  • B. Chaudhuri1
  1. 1University of Connecticut
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Cite

BibTeXRIS
BibTeX
@misc{neema2026structurebased,
  title = {{A Structure-Based hERG Pose Selection Workflow Integrating Induced-Fit Docking, Shape Similarity, Interaction Fingerprints, and Molecular Dynamics}},
  author = {P. Neema and U. Ozuguzel and S. Najafian and B. Chaudhuri},
  howpublished = {bioRxiv},
  year = {2026},
  month = oct,
  doi = {10.64898/2026.10.07.757389},
  url = {https://www.biorxiv.org/content/10.64898/2026.10.07.757389v1},
}
RIS
TY  - UNPB
TI  - A Structure-Based hERG Pose Selection Workflow Integrating Induced-Fit Docking, Shape Similarity, Interaction Fingerprints, and Molecular Dynamics
AU  - P. Neema
AU  - U. Ozuguzel
AU  - S. Najafian
AU  - B. Chaudhuri
PY  - 2026
DA  - 2026/10/07
PB  - bioRxiv
DO  - 10.64898/2026.10.07.757389
UR  - https://www.biorxiv.org/content/10.64898/2026.10.07.757389v1
ER  -