| 中国学者近期发表的论文 |
|---|
| 1. | Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.
Author: Xue W, Jin X, Ning L, Wang M, Liu H, Yao X.
Journal: J Chem Inf Model. 2013 Jan 28;53(1):210-22. doi: 10.1021/ci300541c. Epub 2012 Dec 20. | | 2. | Unbinding pathways of GW4064 from human farnesoid X receptor as revealed by molecular dynamics simulations.
Author: Li W, Fu J, Cheng F, Zheng M, Zhang J, Liu G, Tang Y.
Journal: J Chem Inf Model. 2012 Nov 26;52(11):3043-52. doi: 10.1021/ci300459k. Epub 2012 Nov 5. | | 3. | admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties.
Author: Cheng F, Li W, Zhou Y, Shen J, Wu Z, Liu G, Lee PW, Tang Y.
Journal: J Chem Inf Model. 2012 Nov 26;52(11):3099-105. doi: 10.1021/ci300367a. Epub 2012 Nov 1. | | 4. | In silico prediction of chemical Ames mutagenicity.
Author: Xu C, Cheng F, Chen L, Du Z, Li W, Liu G, Lee PW, Tang Y.
Journal: J Chem Inf Model. 2012 Nov 26;52(11):2840-7. doi: 10.1021/ci300400a. Epub 2012 Oct 17. | | 5. | Theoretical studies on the susceptibility of oseltamivir against variants of 2009 A/H1N1 influenza neuraminidase.
Author: Li L, Li Y, Zhang L, Hou T.
Journal: J Chem Inf Model. 2012 Oct 22;52(10):2715-29. doi: 10.1021/ci300375k. Epub 2012 Oct 2. | | 6. | Discovery of novel tubulin inhibitors via structure-based hierarchical virtual screening.
Author: Cao R, Liu M, Yin M, Liu Q, Wang Y, Huang N.
Journal: J Chem Inf Model. 2012 Oct 22;52(10):2730-40. doi: 10.1021/ci300302c. Epub 2012 Oct 2. | | 7. | Autoinhibitory mechanism for the mutation-induced impaired FGF9 signaling.
Author: Wang Y, Wu XL, Wei DQ, Li YX, Wang JF.
Journal: J Chem Inf Model. 2012 Sep 24;52(9):2422-9. Epub 2012 Sep 5. | | 8. | Insights into the role of magnesium triad in myo-inositol monophosphatase: metal mechanism, substrate binding, and lithium therapy.
Author: Lu S, Huang W, Li X, Huang Z, Liu X, Chen Y, Shi T, Zhang J.
Journal: J Chem Inf Model. 2012 Sep 24;52(9):2398-409. Epub 2012 Aug 22. | | 9. | Estimation of carcinogenicity using molecular fragments tree.
Author: Wang Y, Lu J, Wang F, Shen Q, Zheng M, Luo X, Zhu W, Jiang H, Chen K.
Journal: J Chem Inf Model. 2012 Aug 27;52(8):1994-2003. doi: 10.1021/ci300266p. Epub 2012 Aug 9. | | 10. | Dependences of water permeation through cyclic octa-peptide nanotubes on channel length and membrane thickness.
Author: Liu J, Fan J, Cen M, Song X, Liu D, Zhou W, Liu Z, Yan J.
Journal: J Chem Inf Model. 2012 Aug 27;52(8):2132-8. doi: 10.1021/ci300185c. Epub 2012 Aug 10. |
|
