AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

Cecchini D, Nigam A, Tang M, Reis J, Koop M, Gottinger A, Nicoll CR, Wang Y, Jayaraj A, Çınaroglu SS, Törner R, Malets Y, Gehev M, Padmanabha Das KM, Churion K, Kim J, Thomas N, Li Y, Seo HS, Dhe-Paganon S, Secker C, Haddadnia M, Hasson A, Li M, Kumar A, Levin-Konigsberg R, Choi EB, Shapiro GI, Cox H 3rd, Sebastian L, Braithwaite C, Bashyal P, Radchenko DS, Kumar A, Yang L, Aquilanti PY, Gabb H, Alhossary A, O'Neill E, Wagner G, Aspuru-Guzik A, Moroz YS, Kalodimos CG, Fackeldey K, Schuetz JD, Mattevi A, Arthanari H, Gorgulla C

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DOI: 10.1038/s41587-026-03217-x
Published: 2026 Sep 1
Container: Nature biotechnology
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1038/s41587-026-03217-x,
  title = {AI-enhanced adaptive virtual screening of large libraries for ligand discovery.},
  author = {Cecchini D and Nigam A and Tang M and Reis J and Koop M and Gottinger A and Nicoll CR and Wang Y and Jayaraj A and Çınaroglu SS and Törner R and Malets Y and Gehev M and Padmanabha Das KM and Churion K and Kim J and Thomas N and Li Y and Seo HS and Dhe-Paganon S and Secker C and Haddadnia M and Hasson A and Li M and Kumar A and Levin-Konigsberg R and Choi EB and Shapiro GI and Cox H 3rd and Sebastian L and Braithwaite C and Bashyal P and Radchenko DS and Kumar A and Yang L and Aquilanti PY and Gabb H and Alhossary A and O'Neill E and Wagner G and Aspuru-Guzik A and Moroz YS and Kalodimos CG and Fackeldey K and Schuetz JD and Mattevi A and Arthanari H and Gorgulla C},
  year = {2026},
  journal = {Nature biotechnology},
  doi = {10.1038/s41587-026-03217-x},
  url = {https://doi.org/10.1038/s41587-026-03217-x}
}

RIS

TY  - JOUR
TI  - AI-enhanced adaptive virtual screening of large libraries for ligand discovery.
AU  - Cecchini D
AU  - Nigam A
AU  - Tang M
AU  - Reis J
AU  - Koop M
AU  - Gottinger A
AU  - Nicoll CR
AU  - Wang Y
AU  - Jayaraj A
AU  - Çınaroglu SS
AU  - Törner R
AU  - Malets Y
AU  - Gehev M
AU  - Padmanabha Das KM
AU  - Churion K
AU  - Kim J
AU  - Thomas N
AU  - Li Y
AU  - Seo HS
AU  - Dhe-Paganon S
AU  - Secker C
AU  - Haddadnia M
AU  - Hasson A
AU  - Li M
AU  - Kumar A
AU  - Levin-Konigsberg R
AU  - Choi EB
AU  - Shapiro GI
AU  - Cox H 3rd
AU  - Sebastian L
AU  - Braithwaite C
AU  - Bashyal P
AU  - Radchenko DS
AU  - Kumar A
AU  - Yang L
AU  - Aquilanti PY
AU  - Gabb H
AU  - Alhossary A
AU  - O'Neill E
AU  - Wagner G
AU  - Aspuru-Guzik A
AU  - Moroz YS
AU  - Kalodimos CG
AU  - Fackeldey K
AU  - Schuetz JD
AU  - Mattevi A
AU  - Arthanari H
AU  - Gorgulla C
PY  - 2026
JO  - Nature biotechnology
DO  - 10.1038/s41587-026-03217-x
UR  - https://doi.org/10.1038/s41587-026-03217-x
ER  -

APA

D, C., A, N., M, T., J, R., M, K., A, G., CR, N., Y, W., A, J., SS, Ç., R, T., Y, M., M, G., KM, P. D., K, C., J, K., N, T., Y, L., HS, S., S, D., C, S., M, H., A, H., M, L., A, K., R, L., EB, C., GI, S., 3rd, C. H., L, S., C, B., P, B., DS, R., A, K., L, Y., PY, A., H, G., A, A., E, O., G, W., A, A., YS, M., CG, K., K, F., JD, S., A, M., H, A., & C, G. (2026). AI-enhanced adaptive virtual screening of large libraries for ligand discovery.. Nature biotechnology. https://doi.org/10.1038/s41587-026-03217-x

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pubmed · retrieved 2026-09-25T21:01:20.862Z