Machine learning approaches for predicting protein-ligand binding sites from sequence data by Orhun Vural, Leon Jololian

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A strategy for selective screening of dual-target bioactive compounds against hypertrophic scar through inhibiting angiotensin II type 1 receptor while stimulating type 2 receptor... by Lejing Qu, Meizhi Jiao, Zilong Zhang, Yuanyuan Ou, Xue Zhao, Yajun Zhang, Xinfeng Zhao

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Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

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Exploring therapeutic strategies for androgen-independent prostate cancer using a magnetic coculture platform by Anjani Chavali, Giles Fitzwilliams, Adam Germain, Sandra Khuon, Young-tae Kim

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One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening by James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov

Subjects: “…Computer-assisted drug discovery…”
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New strategies to enhance the efficiency and precision of drug discovery by Qi An, Liang Huang, Chuan Wang, Dongmei Wang, Yalan Tu

Subjects: “…drug discovery…”
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Improving drug repositioning with negative data labeling using large language models by Milan Picard, Mickael Leclercq, Antoine Bodein, Marie Pier Scott-Boyer, Olivier Perin, Arnaud Droit

Subjects: “…AI-driven drug discovery…”
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