Song Luo

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

Kaifang Huang, Song Luo, Yalong Cong et al. · Nanoscale · 2020 · 154 citations

Life Sciences, Bioinformatics, Biophysics +17

Improving the performance of the MM/PBSA and MM/GBSA methods in recognizing the native structure of the Bcl-2 family using the interaction entropy method

Susu Zhong, Kaifang Huang, Song Luo et al. · Physical Chemistry Chemical Physics · 2020 · 25 citations

Life Sciences, Bioinformatics, Molecular Biology +13

Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use Authorization

Danyang Xiong, Xiaoyu Zhao, Song Luo et al. · The Journal of Physical Chemistry Letters · 2022 · 20 citations

Pharmacy, Immunology, Infectious Diseases +17

Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax

Lili Duan, Shuheng Dong, Kaifang Huang et al. · Physical Chemistry Chemical Physics · 2021 · 18 citations

Life Sciences, Biophysics, Molecular Biology +17

Origin of the tight binding mode to ACE2 triggered by multi-point mutations in the omicron variant: a dynamic insight

Xiaoyu Zhao, Danyang Xiong, Song Luo et al. · Physical Chemistry Chemical Physics · 2022 · 14 citations

Life Sciences, Infectious Diseases, Molecular Biology +17