Developing Quantum Chemical Topology for Polypeptide Charge Distributions Using Kohn-Sham One-electron Potential

GUO Xin, CONG Yunhong, ZHAO Jian, ZHAO Dongxia, YANG Zhongzhi

Chemical Research in Chinese Universities . 2025, (5): 1121 -1132 . DOI: 10.1007/s40242-025-5150-5