AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.

Cecchini D, Nigam A, Tang M, Reis J, Koop M, Gottinger A, Nicoll CR, Wang Y, Jayaraj A, Çınaroğlu SS, Törner R, Malets Y, Gehev M, Das KMP, 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, Sebastian L, Braithwaite C, Bashyal P, Radchenko DS, Kumar A, Yang L, Aquilanti PY, Gabb H, Alhossary A, Wagner G, Aspuru-Guzik A, Moroz YS, Kalodimos CG, Fackeldey K, Schuetz JD, Mattevi A, Arthanari H, Gorgulla C

Open source

DOI
10.1101/2023.04.25.537981
Published
2026 Mar 23
Container
bioRxiv : the preprint server for biology
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1101/2023.04.25.537981,
  title = {AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.},
  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 Çınaroğlu SS and Törner R and Malets Y and Gehev M and Das KMP 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 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 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 = {bioRxiv : the preprint server for biology},
  doi = {10.1101/2023.04.25.537981},
  url = {https://doi.org/10.1101/2023.04.25.537981}
}

RIS

TY  - JOUR
TI  - AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.
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  - Çınaroğlu SS
AU  - Törner R
AU  - Malets Y
AU  - Gehev M
AU  - Das KMP
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
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  - 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  - bioRxiv : the preprint server for biology
DO  - 10.1101/2023.04.25.537981
UR  - https://doi.org/10.1101/2023.04.25.537981
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., KMP, 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., H, C., L, S., C, B., P, B., DS, R., A, K., L, Y., PY, A., H, G., A, A., G, W., A, A., YS, M., CG, K., K, F., JD, S., A, M., H, A., & C, G. (2026). AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.. bioRxiv : the preprint server for biology. https://doi.org/10.1101/2023.04.25.537981

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