An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein–ligand binding affinity

K Huang, S Luo, Y Cong, S Zhong, JZH Zhang, L Duan - Nanoscale, 2020 - pubs.rsc.org
The molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) method is
constantly used to calculate the binding free energy of protein–ligand complexes, and has …
被引用次数：113 相关文章

An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity.

K Huang, S Luo, Y Cong, S Zhong, JZH Zhang, L Duan - Nanoscale, 2020 - europepmc.org
The molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA) method is constantly
used to calculate the binding free energy of protein-ligand complexes, and has been shown …

An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity

K Huang, S Luo, Y Cong, S Zhong, JZH Zhang… - …, 2020 - pubmed.ncbi.nlm.nih.gov
The molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA) method is constantly
used to calculate the binding free energy of protein-ligand complexes, and has been shown …

An accurate free energy estimator: Based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity

K Huang, S Luo, Y Cong, S Zhong, JZH Zhang… - …, 2020 - nyuscholars.nyu.edu
Abstract The molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA) method is
constantly used to calculate the binding free energy of protein-ligand complexes, and has …