scholarly journals Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations

PLoS ONE ◽  
2015 ◽  
Vol 10 (12) ◽  
pp. e0145219 ◽  
Author(s):  
Yuzhen Niu ◽  
Dabo Pan ◽  
Danfeng Shi ◽  
Qifeng Bai ◽  
Huanxiang Liu ◽  
...  
2015 ◽  
Vol 11 (2) ◽  
pp. 423-435 ◽  
Author(s):  
Robert B. Sandberg ◽  
Martina Banchelli ◽  
Carlo Guardiani ◽  
Stefano Menichetti ◽  
Gabriella Caminati ◽  
...  

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