Computational insights on the molecular interplay between KRas (G12D mutation) and SOS1 modulated by the inhibitor BI-3406

• Juan Zeng ,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: azengjuan@gdmu.edu.cn

  Affiliation School of Biomedical Engineering, Guangdong Medical University, Dongguan, China

  https://orcid.org/0000-0001-8227-0415

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• Yixuan Lan,

  Roles Formal analysis, Visualization

  Affiliation School of Biomedical Engineering, Guangdong Medical University, Dongguan, China

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• Fei Xia

  Roles Conceptualization, Investigation, Project administration, Resources, Software, Supervision, Writing – review & editing

  Affiliations Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China

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