John Z. H. Zhang 人物
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End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
2019Chemical Reviews引用 2076
Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein–Ligand Binding Free Energy
2016Journal of the American Chemical Society引用 456
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches
2018Physical Chemistry Chemical Physics引用 360
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
2020Nature Communications引用 288顶会
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