Experimental and theoretical investigation of non-covalent interactions in potential bioactive compounds

被引：2
|
作者：
Thamotharan, Subbiah [1 ,2 ]
Percino, M. Judith [3 ]
Gil, Diego Mauricio [4 ]
机构：
[1] SASTRA Deemed Univ, Sch Chem & Biotechnol, Biomol Crystallog Lab, Thanjavur, India
[2] SASTRA Deemed Univ, Bioinformat Ctr, Sch Chem & Biotechnol, DBT, Thanjavur, India
[3] Benemerita Univ Autonoma Puebla, Unidad Polimeros & Elect Organ, Inst Ciencias, Puebla, Mexico
[4] Univ Nacl Tucuman, Fac Bioquim Quim & Farm, Inst Quim Organ, INBIOFAL,CONICET UNT, Ayacucho 471,T4000INI, San Miguel De Tucuman, Argentina
来源：
FRONTIERS IN CHEMISTRY | 2023年 / 11卷
关键词：
weak noncovalent interaction; energetics; bioactive; DFT; CLP-PIXEL energy; hirshfeld surface;
D O I：
10.3389/fchem.2023.1326955
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页数：2
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