Transferable Collective Variable to accelerate Protein-Ligand (Un)Binding Transitions via Explainable Machine Learning and Intriguing Role of Ligand Solvation

Saikat Dhibar, Biman Jana

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DOI: 10.64898/2026.08.21.746233
Published: 2026-08-22
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BibTeX

@article{allodium:10.64898/2026.08.21.746233,
  title = {Transferable Collective Variable to accelerate Protein-Ligand (Un)Binding Transitions via Explainable Machine Learning and Intriguing Role of Ligand Solvation},
  author = {Saikat Dhibar and Biman Jana},
  year = {2026},
  doi = {10.64898/2026.08.21.746233},
  url = {https://doi.org/10.64898/2026.08.21.746233}
}

RIS

TY  - JOUR
TI  - Transferable Collective Variable to accelerate Protein-Ligand (Un)Binding Transitions via Explainable Machine Learning and Intriguing Role of Ligand Solvation
AU  - Saikat Dhibar
AU  - Biman Jana
PY  - 2026
DO  - 10.64898/2026.08.21.746233
UR  - https://doi.org/10.64898/2026.08.21.746233
ER  -

APA

Dhibar, S., & Jana, B. (2026). Transferable Collective Variable to accelerate Protein-Ligand (Un)Binding Transitions via Explainable Machine Learning and Intriguing Role of Ligand Solvation. https://doi.org/10.64898/2026.08.21.746233

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crossref · retrieved 2026-09-25T06:12:33.498Z