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Molecular Diversity|October 5, 2025
DeepMice: a novel protein-ligand molecular docking model based on multilevel mapping modulesJiawei Liu, Qi Wang, Yanzhao Jin, et al.
Molecular Diversity|October 16, 2025
Virtual screening and experimental validation of small-molecule compounds targeting AR in prostate cancerZhongqiang Fan, Xuexue Hao, Weiren Chen, et al.
Molecular Diversity|October 2, 2025
Computational design of MMP-13 inhibitors using a combined approach of machine learning, docking, and molecular dynamicsAbdul Manan, Sidra Ilyas, Eunha Kim, et al.
Molecular Diversity|May 10, 2020
Synthesis of polycyclic N-heterocyclic compounds via one-pot three-component cyclization strategyAbdolali Alizadeh, Elham Sanjari, Atefeh Roosta, et al.
Molecular Diversity|September 16, 2021
Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperdaDomingo Méndez-Álvarez, Verónica Herrera-Mayorga, Alfredo Juárez-Saldivar, et al.
Molecular Diversity|July 31, 2022
Identification of bicyclic compounds that act as dual inhibitors of Bcl-2 and Mcl-1Abhay Uthale, Aarti Anantram, Prasad Sulkshane, et al.
Molecular Diversity|September 16, 2021
A one-pot synthesis of piperidinium spirooxindoline-pyridineolates and indole-substituted pyridones in aqueous or ethanol mediumFaezeh Mirzaei, Mohammad Bayat, Shima Nasri
Molecular Diversity|April 24, 2020
Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarityAndrey A Toropov, Alla P Toropova, Marco Marzo, et al.
Molecular Diversity|September 25, 2025
A decade of progress in transition metal-catalyzed sulfoxide reductionsMohammad Abu Shuheil, Radwan Ali, Munthar Kadhim Abosaoda, et al.
Molecular Diversity|September 14, 2025
Decoding the gut microbiota metabolite-matrix metalloproteinase-3 axis in breast cancer: a multi-omics and network pharmacology studyTangyu Yuan, Jiayin Xing, Pengtao Liu
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