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Molecular structure

Encapsulation of anticancer drugs into carbon nanotubes: Heuristic algorithm approach and mathematical model

Kanes Sumetpipat, Duangkamon Baowan

QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis

Yeliz Kara, Yeşim Saǧlam Özkan, [ ... ], Melaku Berhe Belay

Unveiling the mechanism of dodecylphosphorylcholine as an extremely promising drug delivery system: From self-assembly clusters to drug encapsulation pathways

Qijiang Shu, Linjing Yang, [ ... ], Pengru Huang

Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

Tris inhibits a GH1 β-glucosidase by a linear mixed inhibition mechanism

Rafael S. Chagas, Sandro R. Marana

The study on the adsorption characteristics of anthracite under different temperature and pressure conditions

Danan Zhao, Xiaofei Ke, [ ... ], Qu Du

Innovative approaches in QSPR modelling using topological indices for the development of cancer treatments

Xiaolong Shi, Saeed Kosari, Masoud Ghods, Negar Kheirkhahan

Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP)

Fozia Bashir Farooq, Sobia Sultana, Nouf Abdulrahman Alqahtani, Muhammad Imran

Drug-Drug interactions prediction calculations between cardiovascular drugs and antidepressants for discovering the potential co-medication risks

Tie Hua Zhou, Tian Yu Jin, Xi Wei Wang, Ling Wang

In silico drug repurposing at the cytoplasmic surface of human aquaporin 1

Aled R. Lloyd, Karl Austin-Muttitt, Jonathan G. L. Mullins

Correlation analysis between micro and macro indicators of high modulus modified asphalt for asphalt pavement

Jiarong Wang, Zhengqi Zhang, Zhongnan Tian

Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate

Pia Lavriha, Yufei Han, [ ... ], Volodymyr M. Korkhov

Demonstration of physicochemical and functional similarity between Stimufend (pegfilgrastim-fpgk) and Neulasta (pegfilgrastim): A comparative analytical assessment

Alison Sykes, Louise Ingram, Ulrich Kronthaler, Laurent Chevalet

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