Lv48
620 积分 2024-02-21 加入
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function
6天前
已完结
The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity
28天前
已完结
Dynamic Interplay of Loop Motions Governs the Molecular Level Regulatory Dynamics in Spleen Tyrosine Kinase: Insights from Molecular Dynamics Simulations
28天前
已完结
Design, synthesis and biological evaluation of pyrimidine-based derivatives as VEGFR-2 tyrosine kinase inhibitors
1个月前
已完结
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function
1个月前
已完结
A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein–Ligand Binding
1个月前
已完结
Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach
2个月前
已完结
Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling
4个月前
已完结
Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT
4个月前
已完结
Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding
4个月前
已完结
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