SilicoXplore: An integrated cloud platform coupling machine learning with physics-based modelling for end-to-end drug discovery, applied to the computational prioritisation of putative New Delhi metallo-β-lactamase-1 binders.

Mangal P, Shinde O, Chikhale S, Bhowmick S, Islam MA

Open source

DOI
10.1016/j.jmgm.2026.109566
Published
2026 Sep 4
Container
Journal of molecular graphics & modelling
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.jmgm.2026.109566,
  title = {SilicoXplore: An integrated cloud platform coupling machine learning with physics-based modelling for end-to-end drug discovery, applied to the computational prioritisation of putative New Delhi metallo-β-lactamase-1 binders.},
  author = {Mangal P and Shinde O and Chikhale S and Bhowmick S and Islam MA},
  year = {2026},
  journal = {Journal of molecular graphics \& modelling},
  doi = {10.1016/j.jmgm.2026.109566},
  url = {https://doi.org/10.1016/j.jmgm.2026.109566}
}

RIS

TY  - JOUR
TI  - SilicoXplore: An integrated cloud platform coupling machine learning with physics-based modelling for end-to-end drug discovery, applied to the computational prioritisation of putative New Delhi metallo-β-lactamase-1 binders.
AU  - Mangal P
AU  - Shinde O
AU  - Chikhale S
AU  - Bhowmick S
AU  - Islam MA
PY  - 2026
JO  - Journal of molecular graphics & modelling
DO  - 10.1016/j.jmgm.2026.109566
UR  - https://doi.org/10.1016/j.jmgm.2026.109566
ER  - 

APA

P, M., O, S., S, C., S, B., & MA, I. (2026). SilicoXplore: An integrated cloud platform coupling machine learning with physics-based modelling for end-to-end drug discovery, applied to the computational prioritisation of putative New Delhi metallo-β-lactamase-1 binders.. Journal of molecular graphics & modelling. https://doi.org/10.1016/j.jmgm.2026.109566

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