Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations

Name: Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations
Creator: Selvaraj Chandrabose; Sathishkumar Chinnasamy; Satyavani Kaliamurthi; Gurudeeban Selvaraj
Published: 2019-10-14T00:00:00+08:00

Taylor & Francis Group2020-08-24 更新2026-04-16 收录

AURKA抑制剂发现

计算化学药物筛选

数据链接：

https://tandf.figshare.com/articles/Molecular_docking_and_molecular_dynamics_simulation_studies_to_identify_potent_AURKA_inhibitors_Assessing_the_performance_of_density_functional_theory_MM-GBSA_and_mass_action_kinetics_calculations/9938279/2 数据链接链接失效反馈

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资源简介：

Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations

提供机构：

Selvaraj Chandrabose; Sathishkumar Chinnasamy; Satyavani Kaliamurthi; Gurudeeban Selvaraj

创建时间：

2019-10-14