Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations.
- DOI
- 10.1007/s00894-026-06923-0
- Published
- 2026-09-09
- Container
- J Mol Model
- Publisher
- Not recorded
- Open access
- yes
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Cite this work
BibTeX
@article{allodium:10.1007/s00894-026-06923-0,
title = {Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations.},
author = {Sousa KKF and Barbosa ABS and Cardoso FJB and Silva JRA and Molfetta FA.},
year = {2026},
journal = {J Mol Model},
doi = {10.1007/s00894-026-06923-0},
url = {https://doi.org/10.1007/s00894-026-06923-0}
}RIS
TY - JOUR TI - Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations. AU - Sousa KKF AU - Barbosa ABS AU - Cardoso FJB AU - Silva JRA AU - Molfetta FA. PY - 2026 JO - J Mol Model DO - 10.1007/s00894-026-06923-0 UR - https://doi.org/10.1007/s00894-026-06923-0 ER -
APA
KKF, S., ABS, B., FJB, C., JRA, S., & FA., M. (2026). Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations.. J Mol Model. https://doi.org/10.1007/s00894-026-06923-0
Source records
- europe-pmc · retrieved 2026-09-25T11:12:30.177Z