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A modular molecular framework for quickly estimating the binding affinity of the spike protein of SARS-CoV-2 variants for ACE2, in presence of mutations at the spike receptor binding domain

机译：用于快速估计SARS-COV-2变体的尖峰蛋白对ACE2的刺激蛋白的结合亲和力的模块化分子框架，在尖峰受体结合结构域的突变存在下

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Vincenzo Tragni; Francesca Preziusi; Luna Laera; Angelo Onofrio; Simona Todisco; Mariateresa Volpicella; Anna De Grassi; Ciro Leonardo Pierri;
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1. Intra- and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding [J] . Adhikari Puja, Li Neng, Shin Matthew, Physical chemistry chemical physics: PCCP . 2020,第33期

机译：SARS-COV-2穗蛋白受体结合结构域的血管和分子间原子标度相互作用：ACE2受体结合的含义
2. Molecular simulation of SARS-CoV-2 spike protein binding to pangolin ACE2 or human ACE2 natural variants reveals altered susceptibility to infection [J] . Jingfang Wang, Xintian Xu, Xinbo Zhou, The Journal of general virology . 2020,第9期

机译：SARS-COV-2尖峰蛋白结合的分子模拟与Pangolin Ace2或人ACE2天然变体揭示了对感染的易感性改变
3. Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein [J] . Lupala Cecylia S., Li Xuanxuan, Lei Jian, Quantitative biology . 2021,第1期

机译：计算模拟显示人ACE2和SARS-COV-2穗蛋白的受体结合结构域之间的结合动态
4. Molecular Dynamic Simulations Suggest that P152R Mutation Within MeCP2 Can Lead to Higher DNA Binding Affinity and Loss of Selective Binding to Methylated DNA [C] . Dino Franklin International Conference on Practical Applications of Computational Biology and Bioinformatics . 2019

机译：分子动态模拟表明，MECP2内的P152R突变可以导致更高的DNA结合亲和力和对甲基化DNA的选择性结合的丧失
5. Structural and functional analysis of bone morphogenetic proteins: Crystal structure of bone morphogenetic protein-9, binding studies with pro-domain and receptors, and mutational studies in Drosophila decapentaplegic [D] . Brown, Monica Anne 2008

机译：骨形态发生蛋白9的结构和功能分析：骨形态发生蛋白9的晶体结构，与前域和受体的结合研究以及果蝇十足性果蝇的突变研究
6. Effect of An 84-bp Deletion of the Receptor-Binding Domain on the ACE2 Binding Affinity of the SARS-CoV-2 Spike Protein: An In Silico Analysis [O] . Gábor Kemenesi, Gábor Endre Tóth, Dávid Bajusz, 2021

机译：84bp缺失对受体结合结构域对SARS-COV-2穗蛋白的ACE2结合亲和力的影响：在硅分析中
7. Effects of Mutations in the Receptor-Binding Domain of SARS-CoV-2 Spike on its Binding Affinity to ACE2 and Neutralizing Antibodies Revealed by Computational Analysis [O] . Marine E. Bozdaganyan, Olga S. Sokolova, Konstantin V. Shaitan, 2021

机译：SARS-COV-2穗对受体结合结构域突变对其对ace2和中和抗体进行计算分析的影响

A modular molecular framework for quickly estimating the binding affinity of the spike protein of SARS-CoV-2 variants for ACE2, in presence of mutations at the spike receptor binding domain

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