| 中国学者近期发表的论文 |
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| 1. | New insights from molecular dynamic simulation studies of the multiple binding modes of a ligand with G-quadruplex DNA.
Author: Hou JQ, Chen SB, Tan JH, Luo HB, Li D, Gu LQ, Huang ZS.
Journal: J Comput Aided Mol Des. 2012 Dec;26(12):1355-68. doi: 10.1007/s10822-012-9619-1. Epub 2012 Dec 13. | | 2. | Computational insights into the selectivity mechanism of APP-IP over matrix metalloproteinases.
Author: Geng L, Gao J, Cui W, Tang Y, Ji M, Chen B.
Journal: J Comput Aided Mol Des. 2012 Dec;26(12):1327-42. doi: 10.1007/s10822-012-9617-3. Epub 2012 Dec 9. | | 3. | Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules.
Author: Xu L, Gao K, Bao C, Wang X.
Journal: J Comput Aided Mol Des. 2012 Aug;26(8):963-76. doi: 10.1007/s10822-012-9588-4. Epub 2012 Jul 25. | | 4. | Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations.
Author: Xu H, Pan W, Wang R, Zhang D, Liu C.
Journal: J Comput Aided Mol Des. 2012 Mar;26(3):329-37. doi: 10.1007/s10822-012-9559-9. Epub 2012 Mar 16. | | 5. | TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.
Author: Yao ZJ, Dong J, Che YJ, Zhu MF, Wen M, Wang NN, Wang S, Lu AP, Cao DS.
Journal: J Comput Aided Mol Des. 2016 May;30(5):413-24. doi: 10.1007/s10822-016-9915-2. Epub 2016 May 11. | | 6. | Incorporating specificity into optimization: evaluation of SPA using CSAR 2014 and CASF 2013 benchmarks.
Author: Yan Z, Wang J.
Journal: J Comput Aided Mol Des. 2016 Mar;30(3):219-27. doi: 10.1007/s10822-016-9897-0. Epub 2016 Feb 15. | | 7. | Computational insights into the interaction mechanism of triazolyl substituted tetrahydrobenzofuran derivatives with H(+),K(+)-ATPase at different pH.
Author: Luo HJ, Wang JZ, Huang NY, Deng WQ, Zou K.
Journal: J Comput Aided Mol Des. 2016 Jan;30(1):27-37. doi: 10.1007/s10822-015-9886-8. Epub 2015 Dec 14. | | 8. | TargetNet: a web service for predicting potential drug
Author: oriental-cds
Journal: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN |
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