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Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models.

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Title: Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models.
Authors: Gorantla R; School of Informatics, University of Edinburgh, Crichton Street, Edinburgh EH8 9AB, U.K.; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K., Gema AP; School of Informatics, University of Edinburgh, Crichton Street, Edinburgh EH8 9AB, U.K., Yang IX; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K., Serrano-Morrás Á; Unitat de Fisicoquímica, Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica, Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona (UB), Av. Joan XXIII, 27-31, 08028 Barcelona, Spain.; Institut de Química Teèrica i Computacional (IQTC), Facultat de Química i Física, Universitat de Barcelona (UB), C. Martí i Franquès, 1, 08028 Barcelona, Spain., Suutari B; Independent Researcher, Miami, Florida 37027, United States., Juárez-Jiménez J; Unitat de Fisicoquímica, Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica, Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona (UB), Av. Joan XXIII, 27-31, 08028 Barcelona, Spain.; Institut de Química Teèrica i Computacional (IQTC), Facultat de Química i Física, Universitat de Barcelona (UB), C. Martí i Franquès, 1, 08028 Barcelona, Spain., Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2025 Nov 24; Vol. 65 (22), pp. 12279-12291. Date of Electronic Publication: 2025 Oct 31.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Gorantla+R%22">Gorantla R</searchLink>; School of Informatics, University of Edinburgh, Crichton Street, Edinburgh EH8 9AB, U.K.; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Gema+AP%22">Gema AP</searchLink>; School of Informatics, University of Edinburgh, Crichton Street, Edinburgh EH8 9AB, U.K.<br /><searchLink fieldCode="AU" term="%22Yang+IX%22">Yang IX</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Serrano-Morrás+Á%22">Serrano-Morrás Á</searchLink>; Unitat de Fisicoquímica, Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica, Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona (UB), Av. Joan XXIII, 27-31, 08028 Barcelona, Spain.; Institut de Química Teèrica i Computacional (IQTC), Facultat de Química i Física, Universitat de Barcelona (UB), C. Martí i Franquès, 1, 08028 Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Suutari+B%22">Suutari B</searchLink>; Independent Researcher, Miami, Florida 37027, United States.<br /><searchLink fieldCode="AU" term="%22Juárez-Jiménez+J%22">Juárez-Jiménez J</searchLink>; Unitat de Fisicoquímica, Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica, Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona (UB), Av. Joan XXIII, 27-31, 08028 Barcelona, Spain.; Institut de Química Teèrica i Computacional (IQTC), Facultat de Química i Física, Universitat de Barcelona (UB), C. Martí i Franquès, 1, 08028 Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Mey+ASJS%22">Mey ASJS</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2025 Nov 24; Vol. 65 (22), pp. 12279-12291. <i>Date of Electronic Publication: </i>2025 Oct 31.
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              Text: 2025 Nov 24
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