Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding and Intrinsically Disordered Proteins Using Polarizable Force Fields. 王安徽, Zhang Zhichao, 李国辉.Journal of Physical Chemistry Letters. 2018

Structural insight into precursor tRNA processing by yeast ribonuclease P. Lan Pengfei， Tan Ming， 张跃斌， Niu Shuangshuang， Chen Juan， Shi Shaohua， Qiu Shuwan， Wang Xuejuan， 彭向达， Cai Gang， Cheng Hong， Wu Jian， 李国辉， Lei Ming.SCIENCE.2018

Polarizable force field development for lipids and their efficient applications in membrane proteins . 楚慧郢, 曹了然, 彭向达, 李国辉.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE7;5:e1312 2017

Structural basis for activity regulation of MLL family methyltransferases Li Yanjing，Han Jianming， 张跃斌，Cao Fang，Liu Zhijun，Li Shuai，Wu Jian，Hu Chunyi，Wang Yan，Shuai Jin， Chen Juan， 曹了然， Li Dangsheng，Shi Pan，Tian Changlin， Zhang Jian， Dou Yali， 李国辉，Chen Yong，Lei Ming.NATURE2016

Coarse-Grained Modeling of Nucleic Acids Using Anisotropic Gay-Berne and Electric Multipole Potentials 李国辉， 沈虎峻， 张鼎林， 李焱， 王洪磊.Journal of Chemical Theory and Computation2016

Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections 彭向达， 张跃斌， 楚慧郢， 李焱， 张鼎林， 曹了然， 李国辉.Journal of Chemical Theory and Computation2016