| 000 | a | ||
|---|---|---|---|
| 999 |
_c16086 _d16086 |
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| 003 | OSt | ||
| 005 | 20220128142111.0 | ||
| 008 | 220128b xxu||||| |||| 00| 0 eng d | ||
| 040 |
_aAIKTC-KRRC _cAIKTC-KRRC |
||
| 100 |
_915638 _aNirmal, N. S. Femila |
||
| 245 | _aComputational calculations and molecular docking studies on 2-(2-ethylaminothiazol-5-oyl)benzothiazole | ||
| 250 | _aVol.60B(2), Feb. | ||
| 260 |
_aNew Delhi _bCSIR _c2021 |
||
| 300 | _a273-276p. | ||
| 520 | _a2-(2-Ethylaminothiazol-5-oyl)benzothiazole has been synthesized and its bond length, bond angle, dihedral angle, HOMO-LUMO and Mulliken charges on the atoms have been calculated by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis sets. Biological properties like the target receptor identification and identification of interacting residues, of this compound is identified and analyzed by using Openbabel GUI (C) software. | ||
| 650 | 0 |
_95009 _aGENERAL CHEMISTRY |
|
| 700 |
_915639 _aRosy, Bojaxa A. |
||
| 773 | 0 |
_tIndian journal of chemistry (Section B) _dNew Delhi NISCAIR-CSIR 2005 |
|
| 856 |
_uhttp://nopr.niscair.res.in/bitstream/123456789/56213/1/IJCB%2060B%282%29%20273-276.pdf _yClick here |
||
| 942 |
_2ddc _cAR |
||