Multiscale Quantum Refinement Approaches for Metalloproteins

Yan, ZY; Li, X; Chung, LW

Chung, LW (corresponding author), Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Dept Chem, Shenzhen 518055, Peoples R China.; Chung, LW (corresponding author), Southern Univ Sci & Technol, Guangdong Prov Key Lab Catalysis, Shenzhen 518055, Peoples R China.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021; 17 (6): 3783

Abstract

Biomolecules with metal ion(s) (e.g., metalloproteins) play many important biological roles. However, accurate structural determination of metalloprot......

Full Text Link