Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein-Ligand Docking.

Gaskin L, Welsch M, Kirchmair J, Kimiaei M

DOI: 10.1021/acs.jctc.6c01110
Published: 2026 Sep 8
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c01110,
  title = {Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein-Ligand Docking.},
  author = {Gaskin L and Welsch M and Kirchmair J and Kimiaei M},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c01110},
  url = {https://doi.org/10.1021/acs.jctc.6c01110}
}

RIS

TY  - JOUR
TI  - Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein-Ligand Docking.
AU  - Gaskin L
AU  - Welsch M
AU  - Kirchmair J
AU  - Kimiaei M
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c01110
UR  - https://doi.org/10.1021/acs.jctc.6c01110
ER  -

APA

L, G., M, W., J, K., & M, K. (2026). Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein-Ligand Docking.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01110

Source records

pubmed · retrieved 2026-09-25T08:15:19.772Z
europe-pmc · retrieved 2026-09-25T08:15:19.789Z