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Molecular Diversity|July 11, 2026
DeepPepQSAR: all-in-one for comprehensively exploiting the vast molecular diversity space of bioactive peptide universePeng Zhou, Kexin Li, Yulu Gan, et al.
Molecular Diversity|July 14, 2026
Copper-catalyzed desulfurative guanylation of amines using CS2 as a C1 synthonPinyong Zhong, Kangqiang Lu, Jin-Biao Liu
Molecular Diversity|July 13, 2026
Synthesis and biological evaluation of bisspirooxindole-hexahydroindolizines as potential anticancer agentFereshteh Ahmadi, Mohammad Javadi, Naeimeh Shahrestani, et al.
Molecular Diversity|July 9, 2026
Design, synthesis, and anti-prostate cancer activity evaluation of novel thieno[2,3-b]pyridine derivatives as potential BLM helicase inhibitorsWei Tu, Ningning Zan, Xinyu Liu, et al.
Molecular Diversity|June 23, 2026
Multi-omics investigation of per- and polyfluoroalkyl substances in lung adenocarcinoma: comprehensive network toxicology, machine learning and molecular docking experimentsChunhong Li, Xin Zeng, Yuhua Mao, et al.
Molecular Diversity|June 28, 2026
Electrochemical thioester synthesis enabled by phosphine promotion from carboxylic acids and disulfidesHong Zeng, Ming-Qiu-Hao Fu, Zhi Guan, et al.
Molecular Diversity|June 28, 2026
Candimine as a natural scaffold for targeting squalene synthetase in Trypanosoma cruzi: insights from computational studiesAntonio Viayna, Javier E Ortiz, Frederick Schosinsky, et al.
Molecular Diversity|June 28, 2026
Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancerAhmed R Elaraby, Mai I Shahin, Mahmoud M Elaasser, et al.
Molecular Diversity|May 29, 2026
Rational design of triazole tyrosinase inhibitors via integrated free energy calculationsNathália Luiza Oliveira Costa, Cláudio Nahum Alves, Lucas Sousa Martins, et al.
Molecular Diversity|June 4, 2026
Acetylcholinesterase inhibitory activity of phthalimide derivatives as anti-alzheimer agents: QSAR, ARKA, Hybrid ARKA-RASAR, virtual screening, molecular docking and ADMET studiesShubhanshu Shukla, Jitesh Pradhan, Nikita Chhabra, et al.
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