Lv31
274 积分 2024-01-01 加入
Delving into Macrolide Binding Affinities and Associated Structural Modulations in Erythromycin Esterase C: Insights into the Venus Flytrap Mechanism
3小时前
待确认
Identification of Novel Fourth-Generation Allosteric Inhibitors Targeting Inactive State of EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach
3小时前
已完结
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease
8天前
已完结
Unsaturated bond recognition leads to biased signal in a fatty acid receptor
3个月前
已完结
Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations
6个月前
已完结
Spatial and Electronic Features Driving SGLT1/2 Selectivity: A Combined Molecular Dynamics and Quantum Mechanics Study
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