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Interpretable drug-target affinity prediction based on pre-trained models’ output as embeddings and based on structure-aware cross-attention for feature fusion by unknow
pdf | | 2025-04-24 | Author:unknow

( Category: other March 19,2026 )
Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations by Debojyoti Halder & Subham Das & R. S. Jeyaprakash
pdf | | 2023-09-15 | Author:Debojyoti Halder & Subham Das & R. S. Jeyaprakash

( Category: other March 19,2026 )
Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico study by unknow
pdf | | 2023-08-14 | Author:unknow

( Category: other March 19,2026 )
Asymmetric synthesis of spiro[4H-chromene-3,3′-oxindoles] via a squaramide-organocatalytic three-component cascade KnoevenagelMichaelcyclization sequence by Liming Wang & Hongwen Mu & Yuhong Sun & Ying Jin & Wei Zhang
pdf | | 2024-04-30 | Author:Liming Wang & Hongwen Mu & Yuhong Sun & Ying Jin & Wei Zhang

( Category: other March 19,2026 )
In silico study to identify novel NEK7 inhibitors from natural sources by a combination strategy by Heng Zhang & Chenhong Lu & Qilong Yao & Qingcai Jiao
pdf | | 2024-04-10 | Author:Heng Zhang & Chenhong Lu & Qilong Yao & Qingcai Jiao

( Category: other March 19,2026 )
Identification of the potential Pan-CDK antagonists: tracing the path of virtual screening and inhibitory activity on lung cancer cells by Jia-Hao Tao & Ping-Lang Ruan & Jun Zhang & Yong Zhou & Cha-Xiang Guan
pdf | | 2024-07-27 | Author:Jia-Hao Tao & Ping-Lang Ruan & Jun Zhang & Yong Zhou & Cha-Xiang Guan

( Category: other March 19,2026 )
Explainable AI-driven prediction of APE1 inhibitors: enhancing cancer therapy with machine learning models and feature importance analysis by unknow
pdf | | 2025-02-20 | Author:unknow

( Category: other March 19,2026 )
Unravelling the anti-inflammatory mechanism of Allium cepa: an integration of network pharmacology and molecular docking approaches by unknow
pdf | | 2023-02-28 | Author:unknow

( Category: other March 19,2026 )
Identification of 5-nitroindazole as a multitargeted inhibitor for CDK and transferase kinase in lung cancer: a multisampling algorithm-based structural study by Shaban Ahmad & Khalid Raza
pdf | | 2023-04-14 | Author:Shaban Ahmad & Khalid Raza

( Category: other March 19,2026 )
Comparative assessment of different anti-CD147Basigin 2 antibodies as a potential therapeutic anticancer target by molecular modeling and dynamic simulation by unknow
pdf | | 2024-04-07 | Author:unknow

( Category: other March 19,2026 )
Classification models and SAR analysis of anaplastic lymphoma kinase (ALK) inhibitors using machine learning algorithms with two data division methods by Dan Qu & Aixia Yan
pdf | | 2024-11-10 | Author:Dan Qu & Aixia Yan

( Category: other March 19,2026 )
New tetrazolopyrrolidine-1,2,3-triazole analogues as potent anticancer agents: design, synthesis and molecular docking studies by Siva Kumar Gandham & Amit A. Kudale & Tejeswara Rao Allaka & Kalyani Chepuri & Anjali Jha
pdf | | 2023-11-08 | Author:Siva Kumar Gandham & Amit A. Kudale & Tejeswara Rao Allaka & Kalyani Chepuri & Anjali Jha

( Category: other March 19,2026 )
Multiple pyrazolylazoindoleindazole scaffold based visible-light photoswitches with versatile controlled photophysical properties by Haoran Hu & Siyi Wei & Chong Zhang & Chao Gao & Chengguo Sun & Yang Du & Bingcheng Hu
pdf | | 2025-04-24 | Author:Haoran Hu & Siyi Wei & Chong Zhang & Chao Gao & Chengguo Sun & Yang Du & Bingcheng Hu

( Category: other March 19,2026 )
Correction: Machine learning-based activity prediction of phenoxy-imine catalysts and its structure–activity relationship study by Xiaoke Zhou & Sisi He & Min Xiao & Jing He & Yuan Wang & Yuanqin Zhu & Haixiang He
pdf | | 2025-04-11 | Author:Xiaoke Zhou & Sisi He & Min Xiao & Jing He & Yuan Wang & Yuanqin Zhu & Haixiang He

( Category: other March 19,2026 )
Investigation into in silico and in vitro approaches for inhibitors targeting MCM10 in Leishmania donovani: a comprehensive study by Satabdi Saha & Anupama Sharma & Deep Bhowmik & Diwakar Kumar
pdf | | 2024-05-09 | Author:Satabdi Saha & Anupama Sharma & Deep Bhowmik & Diwakar Kumar

( Category: other March 19,2026 )

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