Kokpol S - Search Results

1

Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.

Wichapong K, Lindner M, Pianwanit S, Kokpol S, Sippl W. Wichapong K, et al. Among authors: kokpol s. Eur J Med Chem. 2009 Apr;44(4):1383-95. doi: 10.1016/j.ejmech.2008.09.027. Epub 2008 Sep 30. Eur J Med Chem. 2009. PMID: 18976834

2

Comparative molecular field analysis of artemisinin derivatives: ab initio versus semiempirical optimized structures.

Tonmunphean S, Kokpol S, Parasuk V, Wolschann P, Winger RH, Liedl KR, Rode BM. Tonmunphean S, et al. Among authors: kokpol s. J Comput Aided Mol Des. 1998 Jul;12(4):397-409. doi: 10.1023/a:1008002602653. J Comput Aided Mol Des. 1998. PMID: 9777497

3

Effective discrimination of antimalarial potency of artemisinin compounds based on quantum chemical calculations of their reaction mechanism.

Tonmunphean S, Parasuk V, Kokpol S. Tonmunphean S, et al. Among authors: kokpol s. Bioorg Med Chem. 2006 Apr 1;14(7):2082-8. doi: 10.1016/j.bmc.2005.07.003. Epub 2006 Feb 7. Bioorg Med Chem. 2006. PMID: 16455260

4

Three-dimensional quantitative structure: activity relationship studies on diverse structural classes of HIV-1 integrase inhibitors using CoMFA and CoMSIA.

Nunthaboot N, Tonmunphean S, Parasuk V, Wolschann P, Kokpol S. Nunthaboot N, et al. Among authors: kokpol s. Eur J Med Chem. 2006 Dec;41(12):1359-72. doi: 10.1016/j.ejmech.2006.06.014. Epub 2006 Sep 26. Eur J Med Chem. 2006. PMID: 17002889

5

Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes.

Nunthaboot N, Pianwanit S, Parasuk V, Ebalunode JO, Briggs JM, Kokpol S. Nunthaboot N, et al. Among authors: kokpol s. Biophys J. 2007 Nov 15;93(10):3613-26. doi: 10.1529/biophysj.107.108464. Epub 2007 Aug 10. Biophys J. 2007. PMID: 17693479 Free PMC article.

6

Simultaneous analysis of ultrafast fluorescence decays of FMN binding protein and its mutated proteins by molecular dynamic simulation and electron transfer theory.

Nunthaboot N, Tanaka F, Kokpol S, Chosrowjan H, Taniguchi S, Mataga N. Nunthaboot N, et al. Among authors: kokpol s. J Phys Chem B. 2008 Oct 16;112(41):13121-7. doi: 10.1021/jp804130j. Epub 2008 Sep 18. J Phys Chem B. 2008. PMID: 18800855

7

Quantum mechanical study of photoinduced charge transfer in FMN binding protein.

Nunthaboot N, Tanaka F, Kokpol S, Chosrowjan H, Taniguchi S, Mataga N. Nunthaboot N, et al. Among authors: kokpol s. J Phys Chem B. 2008 Dec 11;112(49):15837-43. doi: 10.1021/jp806272v. J Phys Chem B. 2008. PMID: 19053889

8

Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction.

Wichapong K, Pianwanit S, Sippl W, Kokpol S. Wichapong K, et al. Among authors: kokpol s. J Mol Recognit. 2010 May-Jun;23(3):283-300. doi: 10.1002/jmr.977. J Mol Recognit. 2010. PMID: 19693793

9

Postprocessing of protein-ligand docking poses using linear response MM-PB/SA: application to Wee1 kinase inhibitors.

Wichapong K, Lawson M, Pianwanit S, Kokpol S, Sippl W. Wichapong K, et al. Among authors: kokpol s. J Chem Inf Model. 2010 Sep 27;50(9):1574-88. doi: 10.1021/ci1002153. J Chem Inf Model. 2010. PMID: 20712342

10

Binding mode prediction of biologically active compounds from plant Salvia Miltiorrhiza as integrase inhibitor.

Nunthaboot N, Lugsanangarm K, Kokpol S, Abd-Elazem IS. Nunthaboot N, et al. Among authors: kokpol s. Bioinformation. 2013 Apr 30;9(8):426-31. doi: 10.6026/97320630009426. Print 2013. Bioinformation. 2013. PMID: 23750093 Free PMC article.

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