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Journal of Ethnopharmacology|January 14, 2026
Therapeutic potential of Oxalis corniculata in circumventing Alzheimer's disease through in vitro and in silico investigationsVarsha Yadav, Sinchan Das, Anjali Murmu, et al.In Silico Pharmacology|January 24, 2025
Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitorsNikita Chhabra, Balaji Wamanrao Matore, Nisha Lakra, et al.In Silico Pharmacology|October 22, 2024
First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studiesLomash Banjare, Anjali Murmu, Nilesh Kumar Pandey, et al.RSC Advances|August 29, 2025
Rhodamine and functionalised azobenzene condensed fluorescent <i>turn on</i> novel receptor for the selective and sensitive detection of Hg<sup>2+</sup>: a combined experimental and theoretical studyPradeep Sahu, Amit Kumar Chaturwedi, Ashok Raj Patel, et al.Journal of the American Chemical Society|March 30, 2022
Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin DimersPartha Pratim Roy, Sohang Kundu, Jesús Valdiviezo, et al.Proceedings of the National Academy of Sciences of the United States of America|October 8, 2024
Chlorophyll to zeaxanthin energy transfer in nonphotochemical quenching: An exciton annihilation-free transient absorption studyTsung-Yen Lee, Lam Lam, Dhruv Patel-Tupper, et al.Journal of Computer-Aided Molecular Design|June 8, 2026
A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning modelsArkaprava Banerjee, Vinay Kumar, Shubha Das, et al.Alternatives to Laboratory Animals : ATLA|April 26, 2013
Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus predictionStefano Cassani, Simona Kovarich, Ester Papa, et al.Alternatives to Laboratory Animals : ATLA|April 30, 2014
The QSPR-THESAURUS: the online platform of the CADASTER projectStefan Brandmaier, Willie Peijnenburg, Mojca K Durjava, et al.Pageof 10