换一批
换一批Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis.
作者：
主题词
算法(Algorithms);结合部位(Binding Sites);催化域(Catalytic Domain);HIV蛋白酶(HIV Protease);HIV蛋白酶抑制药(HIV Protease Inhibitors);人类(Humans);氢键合(Hydrogen Bonding);亲水和疏水相互作用(Hydrophobic and Hydrophilic Interactions);配体(Ligands);分子动力学模拟(Molecular Dynamics Simulation);主成分分析(Principal Component Analysis);蛋白质结合(Protein Binding);蛋白质稳定性(Protein Stability);构效关系(Structure-Activity Relationship);热力学(Thermodynamics)
DOI
10.1016/j.jmgm.2019.07.008
PMID
31351319
发布时间
2020-11-01
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