Theoretical analysis of ADP molecule in gas phase and aqueous solution: a DFT and PCM/TD-DFT study

Q3 Biochemistry, Genetics and Molecular Biology Turkish Computational and Theoretical Chemistry Pub Date : 2021-12-08 DOI:10.33435/tcandtc.1013238

Yavuz Ekincioğlu

引用次数: 3

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

气相和水溶液中ADP分子的理论分析:DFT和PCM/TD-DFT研究

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

来源期刊

Turkish Computational and Theoretical Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)

CiteScore

2.40

自引率

0.00%

发文量

期刊最新文献

In Silico Evaluation of Molecular Docking, Molecular Dynamic, and ADME Study of New Nabumetone Schiff Base Derivatives (1,3,4-oxadiazole or 1,3,4-thiadiazole ring) Promising Antiproliferation Action Against Lung Cancer In-silico molecular docking, ADME study, and molecular dynamic simulation of new azetidin-2-one derivatives with antiproliferative activity A Computational Approach of Anti-diabetic Potential Evaluation of Flower and Seed of Nyctanthes arbor tristis Linn The discovery of new potent VEGFR2 inhibitors for potential anti-angiogenesis agent through a combination of structure-based virtual screening, molecular dynamics simulation and ADME-Tox prediction Investigation of Anticancer Properties of 2-benzylidene-1-indanone and Its Derivatives by DFT and Molecular Docking