Computational Evidence for the Enzymatic Transformation of 2-hydroxypropylphosphonate to MethylphosphonateLi, Yanwei; Wang, Xiaodan; Zhang, Ruiming; Wang, Junjie; Yang, Zhongyue; Du, Likai; Tang, Xiaowen; Zhang, Qingzhu; Wang, Wenxing · ACS Earth and Space Chemistry · 2018

Catalytic mechanism of C–F bond cleavage: insights from QM/MM analysis of fluoroacetate dehalogenaseLi, Yanwei; Zhang, Ruiming; Du, Likai; Zhang, Qingzhu; Wang, Wenxing · Catal. Sci. Technol. · 2016

How Many Conformations of Enzymes Should Be Sampled for DFT/MM Calculations? A Case Study of Fluoroacetate DehalogenaseLi, Yanwei; Zhang, Ruiming; Du, Likai; Zhang, Qingzhu; Wang, Wenxing · International Journal of Molecular Sciences · 2016

Insight into the catalytic mechanism of meta-cleavage product hydrolase BphD: a quantum mechanics/molecular mechanics studyLi, Yanwei; Zhang, Ruiming; Du, Likai; Zhang, Qingzhu; Wang, Wenxing · RSC Adv. · 2015

Protein surface recognition by calixarenesZadmard, Reza; Alavijeh, Nahid S. · RSC Adv. · 2014

Pentakis(trifluoromethyl)phenol from NitrobenzeneKütt, Agnes; Koppel, Ilmar A. · RSC Adv. · 2014

Polypyrrole derivatives for electrochromic applicationsCamurlu, Pinar · RSC Adv. · 2014

Naturally occurring organoiodinesWang, Lishu; Zhou, Xuefeng; Fredimoses, Mangaladoss; Liao, Shengrong; Liu, Yonghong · RSC Adv. · 2014

Electron scattering from germanium tetrafluorideGoswami, Biplab; Naghma, Rahla; Antony, Bobby · RSC Adv. · 2014

Computational aspects of hydroformylationKégl, Tamás · RSC Adv. · 2015

Substitution rules for icosahedral quasicrystalsMadison, Alexey E. · RSC Adv. · 2015

Polymer-immobilized chiral catalystsItsuno, Shinichi; Hassan, Md. Mehadi · RSC Adv. · 2014