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Harun M. Patel, Iqrar Ahmad, Rahul Pawara, Matin Shaikh & Sanjay Surana. (2021) In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure-based virtual screening and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:4, pages 1491-1505.
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Xiaozhuo Tan, Meiling Le, Haiwen Wang, Bitao Huo, Tiantian Yu, Peng Huang, Tiangang Luan & Shijun Wen. (2023) Design and synthesis of peptide-drug conjugates to double target EGFR. Phytochemistry Letters 56, pages 30-37.
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Farideh Badichi Akher, Abdolkarim Farrokhzadeh, Neil Ravenscroft & Michelle M. Kuttel. (2022) Deciphering the Mechanism of Binding Selectivity of Chlorofluoroacetamide-Based Covalent Inhibitors toward L858R/T790M Resistance Mutation. Journal of Chemical Information and Modeling 62:4, pages 997-1013.
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Rahul Pawara, Iqrar Ahmad, Sanjay Surana & Harun Patel. (2021) Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation. In Silico Pharmacology 9:1.
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L. El Mchichi, A. El Aissouq, R. Kasmi, A. Belhassan, R. El-Mernissi, A. Ouammou, T. Lakhlifi & M. Bouachrine. (2021) In silico design of novel Pyrazole derivatives containing thiourea skeleton as anti-cancer agents using: 3D QSAR, Drug-Likeness studies, ADMET prediction and molecular docking. Materials Today: Proceedings 45, pages 7661-7674.
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Farideh Badichi Akher, Abdolkarim Farrokhzadeh, Neil Ravenscroft & Michelle M. Kuttel. (2020) Mechanistic Study of Potent Fluorinated EGFR Kinase Inhibitors with a Quinazoline Scaffold against L858R/T790M/C797S Resistance Mutation: Unveiling the Fluorine Substituent Cooperativity Effect on the Inhibitory Activity. The Journal of Physical Chemistry B 124:28, pages 5813-5824.
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