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In Silico Pharmacology|March 24, 2025
Unraveling the mechanisms of antitumor action of Sophora flavescens flavonoids via network pharmacology and molecular simulationZhongyuan Guo, Gaoyue Dong, Xiaoqian Liu, et al.
In Silico Pharmacology|March 18, 2025
Natural compounds as therapeutic candidates for spinocerebellar ataxia type 1: a computational approachSurbhi Singh, Suchitra Singh, Deepika Joshi, et al.
In Silico Pharmacology|January 5, 2019
Molecular modeling of inhibitors against fructose bisphosphate aldolase from Candida albicansAndréia Lima de Amorim, Alan Vitor Morais de Lima, Ana Carolina de Almeida do Rosário, et al.
In Silico Pharmacology|January 5, 2019
Sulfonamide derivatives as Mycobacterium tuberculosis inhibitors: in silico approachSayantan Pradhan, Chittaranjan Sinha
In Silico Pharmacology|January 23, 2023
Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson's disease with novel scaffoldMerzaka Mettai, Ismail Daoud, Fouzia Mesli, et al.
In Silico Pharmacology|April 13, 2017
Study of intra-inter species protein-protein interactions for potential drug targets identification and subsequent drug design for Escherichia coli O104:H4 C277-11Shakhinur Islam Mondal, Zabed Mahmud, Montasir Elahi, et al.
In Silico Pharmacology|September 2, 2025
Cinnamomum verum and Coriandrum sativum secondary metabolites exhibit neuroprotective potential: insights from in vitro, ex vivo and computational modelsAyodeji O Falade, Megan D Akingbasote, Kayode E Adewole, et al.
In Silico Pharmacology|August 28, 2025
Identification of dual inhibitors of ROCK1 and TGFBR1 for overcoming metastasis: an integrated pharmacophore and docking driven CADD strategyBikashita Kalita, Mohane Selvaraj Coumar
In Silico Pharmacology|May 24, 2017
In silico analysis of Shiga toxins (Stxs) to identify new potential vaccine targets for Shiga toxin-producing Escherichia coliMaryam Golshani, Mana Oloomi, Saeid Bouzari
In Silico Pharmacology|January 29, 2016
Use of in-silico assays to characterize the ADMET profile and identify potential therapeutic targets of fusarochromanone, a novel anti-cancer agentMadison Wynne El-Saadi, Tara Williams-Hart, Brian A Salvatore, et al.
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