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Updated: May 17, 2025

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

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非共价分子相互作用规则用于定义量子力学潜在能量扫描的内部调度坐标

Suliman Sharif1, Anmol Kumar1, Alexander D MacKerell1

  • 1Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, USA.

Journal of computational chemistry
|May 16, 2025
PubMed
概括

一个新的工作流精确地控制了二极体中的单体方向,以准确地研究非共价相互作用 (NCI). 这种方法增强了对分子相互作用的理解,并有助于开发更好的化学系统计算模型.

关键词:
列纳德 - 斯.在一开始,从一开始.我们的数据库数据库数据库数据库.互动的能量是相互作用的能量.非共价相互作用的非共价相互作用.范德瓦尔斯 (Van der Waals) 是一个伟大的科学家.

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