| 中国学者近期发表的论文 |
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| 1. | Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild type.
Author: Li R, Wang YT, Chen CL.
Journal: J Mol Graph Model. 2013 Mar;40:131-9. doi: 10.1016/j.jmgm.2012.12.002. Epub 2012 Dec 31. | | 2. | Structure-property relationships of energetic nitrogen-rich salts composed of triaminoguanidinium or ammonium cation and tetrazole-based anions.
Author: Shao Y, Zhu W, Xiao H.
Journal: J Mol Graph Model. 2013 Mar;40:54-63. doi: 10.1016/j.jmgm.2012.12.003. Epub 2012 Dec 21. | | 3. | Can Si-doped graphene activate or dissociate O2 molecule?
Author: Chen Y, Yang XC, Liu YJ, Zhao JX, Cai QH, Wang XZ.
Journal: J Mol Graph Model. 2013 Feb;39:126-32. doi: 10.1016/j.jmgm.2012.11.009. Epub 2012 Nov 29. | | 4. | Virtual screening for alpha7 nicotinic acetylcholine receptor for treatment of Alzheimer's disease.
Author: Chen SG, Gu RX, Dai H, Wei DQ.
Journal: J Mol Graph Model. 2013 Feb;39:98-107. doi: 10.1016/j.jmgm.2012.11.008. Epub 2012 Nov 29. | | 5. | Theoretical studies on the common catalytic mechanism of transketolase by using simplified models.
Author: Sheng X, Liu Y, Liu C.
Journal: J Mol Graph Model. 2013 Feb;39:23-8. doi: 10.1016/j.jmgm.2012.11.001. Epub 2012 Nov 10. | | 6. | Docking and MD study of histamine H4R based on the crystal structure of H1R.
Author: Feng Z, Hou T, Li Y.
Journal: J Mol Graph Model. 2013 Feb;39:1-12. doi: 10.1016/j.jmgm.2012.10.003. Epub 2012 Oct 23. | | 7. | Electronic structures and optical properties of organic dye sensitizer NKX derivatives for solar cells: a theoretical approach.
Author: Zhang CR, Liu L, Liu ZJ, Shen YL, Sun YT, Wu YZ, Chen YH, Yuan LH, Wang W, Chen HS.
Journal: J Mol Graph Model. 2012 Sep;38:419-29. doi: 10.1016/j.jmgm.2012.09.004. Epub 2012 Sep 25. | | 8. | Triangulated manifold meshing method preserving molecular surface topology.
Author: Chen M, Tu B, Lu B.
Journal: J Mol Graph Model. 2012 Sep;38:411-8. doi: 10.1016/j.jmgm.2012.09.006. Epub 2012 Oct 10. | | 9. | Partial physicochemical properties and relative stability of polyhydroxylated dibenzofurans: theoretical and experimental study.
Author: Shi JQ, Qiu J, Sun L, Wang M, Wang FY, Wang ZY.
Journal: J Mol Graph Model. 2012 Sep;38:396-410. doi: 10.1016/j.jmgm.2012.05.008. Epub 2012 Jun 12. | | 10. | Toward understanding the molecular basis for chemical allosteric modulator design.
Author: Wang Q, Zheng M, Huang Z, Liu X, Zhou H, Chen Y, Shi T, Zhang J.
Journal: J Mol Graph Model. 2012 Sep;38:324-33. doi: 10.1016/j.jmgm.2012.07.006. Epub 2012 Aug 8. |
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