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Computational drug discovery under RNA times.
QRB Discov. 2022 Nov 14;3:e22. doi: 10.1017/qrd.2022.20. eCollection 2022.
QRB Discov. 2022.
PMID: 37529286
Free PMC article.
Review.
On the allosteric puzzle and pocket crosstalk through computational means.
Aguti R, Bernetti M, Bosio S, Decherchi S, Cavalli A.
Aguti R, et al.
J Chem Phys. 2023 Apr 28;158(16):165101. doi: 10.1063/5.0145364.
J Chem Phys. 2023.
PMID: 37093144
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Probabilistic Pocket Druggability Prediction via One-Class Learning.
Aguti R, Gardini E, Bertazzo M, Decherchi S, Cavalli A.
Aguti R, et al.
Front Pharmacol. 2022 Jun 29;13:870479. doi: 10.3389/fphar.2022.870479. eCollection 2022.
Front Pharmacol. 2022.
PMID: 35847005
Free PMC article.
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