The conformational landscape of dengue NS2B–NS3 protease is modulated by ligand stereochemistry: An integrated molecular dynamics, Markov state modeling, and explainable AI study
- DOI
- 10.1016/j.jmgm.2026.109635
- Published
- 2027-01
- Container
- Journal of Molecular Graphics and Modelling
- Publisher
- Elsevier BV
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1016/j.jmgm.2026.109635,
title = {The conformational landscape of dengue NS2B–NS3 protease is modulated by ligand stereochemistry: An integrated molecular dynamics, Markov state modeling, and explainable AI study},
author = {Farkad Bantun and Navaneet Chaturvedi and Naif A. Jalal and Hani Faidah and Ahmad O. Babalghith and Ayman K. Johargy and Shafiul Haque and Vijay Kumar},
year = {2027},
journal = {Journal of Molecular Graphics and Modelling},
doi = {10.1016/j.jmgm.2026.109635},
url = {https://doi.org/10.1016/j.jmgm.2026.109635}
}RIS
TY - JOUR TI - The conformational landscape of dengue NS2B–NS3 protease is modulated by ligand stereochemistry: An integrated molecular dynamics, Markov state modeling, and explainable AI study AU - Farkad Bantun AU - Navaneet Chaturvedi AU - Naif A. Jalal AU - Hani Faidah AU - Ahmad O. Babalghith AU - Ayman K. Johargy AU - Shafiul Haque AU - Vijay Kumar PY - 2027 JO - Journal of Molecular Graphics and Modelling DO - 10.1016/j.jmgm.2026.109635 UR - https://doi.org/10.1016/j.jmgm.2026.109635 ER -
APA
Bantun, F., Chaturvedi, N., Jalal, N. A., Faidah, H., Babalghith, A. O., Johargy, A. K., Haque, S., & Kumar, V. (2027). The conformational landscape of dengue NS2B–NS3 protease is modulated by ligand stereochemistry: An integrated molecular dynamics, Markov state modeling, and explainable AI study. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2026.109635
Source records
- crossref · retrieved 2026-11-04T12:28:45.675Z