Shuhua Shi

Insights into the functional role of protonation states in the HIV-1 protease-BEA369 complex: molecular dynamics simulations and free energy calculations

Jianzhong Chen, Maoyou Yang, Guodong Hu et al. · Journal of Molecular Modeling · 2009 · 34 citations

Protein Chemistry, Computational Biophysics, Biochemistry +11

Controlled synthesis of highly active bifunctional electrocatalysts for overall water splitting using coal-based activated carbons

Xianglong Zhao, Xinghua Yong, Qizhe Ji et al. · Journal of Materials Chemistry A · 2022 · 23 citations · Full text

Engineering, Energy Conversion, N Nanoparticles +17

Automatic epileptic seizure detection based on persistent homology

Ziyu Wang, Feifei Liu, Shuhua Shi et al. · Frontiers in Physiology · 2023 · 15 citations · Full text

Impacts of Mutations in the P-Loop on Conformational Alterations of KRAS Investigated with Gaussian Accelerated Molecular Dynamics Simulations

Shuhua Shi, Linqi Zheng, Yonglian Ren et al. · Molecules · 2023 · 13 citations · Full text

Engineering, Physics, Protein Folding +14

Insight into binding mechanisms of inhibitors MKP56, MKP73, MKP86, and MKP97 to HIV-1 protease by using molecular dynamics simulation

Shuhua Shi, Shaolong Zhang, Qinggang Zhang · Journal of Biomolecular Structure and Dynamics · 2017 · 12 citations

Protein Assembly, Molecular Biology, Molecular Dynamics Simulation +19