Using Density Functional Theory for Testing the Robustness of Mobile-Proton Molecular Dynamics Simulations on Electrosprayed Ions: Structural Implications for Gaseous Proteins

Moore, CC; Staroverov, VN; Konermann, L

Konermann, L (通讯作者)，Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada.

JOURNAL OF PHYSICAL CHEMISTRY B, 2023; 127 (18): 4061

Abstract

Current experiments only provide low-resolution information on gaseous protein ions generated by electrospray ionization (ESI). Molecular dynamics (MD......

Full Text Link


Links

期刊讨论 | 中国SCI论文 | 期刊主页 | 投稿经验 | 杂志官网 | 投稿链接 | 作者需知 | PMC链接 | Pubmed全文检索