Xianwei Wang

Fragment Quantum Mechanical Calculation of Proteins and Its Applications

Xiao He, Tong Zhu, Xianwei Wang et al. · Accounts of Chemical Research · 2014 · 218 citations

Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method for Full Quantum Mechanical Calculation of Protein Energy

Xianwei Wang, Jinfeng Liu, John Z. H. Zhang et al. · The Journal of Physical Chemistry A · 2013 · 128 citations

Total Energy, Molecular Biology, Computational Chemistry +16

Multistate Circularly Polarized Luminescence Switching through Stimuli‐Induced Co‐Conformation Regulations of Pyrene‐Functionalized Topologically Chiral [2]Catenane

Yu Wang, Jiacheng Gong, Xianwei Wang et al. · Angewandte Chemie International Edition · 2022 · 104 citations

Effect of Strong Electric Field on the Conformational Integrity of Insulin

Xianwei Wang, Yongxiu Li, Xiao He et al. · The Journal of Physical Chemistry A · 2014 · 83 citations

Engineering, Bovine Insulin, Molecular Dynamics +19

Quantum Fragment Based <i>ab Initio</i> Molecular Dynamics for Proteins

Jinfeng Liu, Tong Zhu, Xianwei Wang et al. · Journal of Chemical Theory and Computation · 2015 · 66 citations

Engineering, Biochemistry, Natural Sciences +15