Kokpol S - Search Results

1

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

2

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

3

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

4

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.

5

Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.

Decha P, Rungrotmongkol T, Intharathep P, Malaisree M, Aruksakunwong O, Laohpongspaisan C, Parasuk V, Sompornpisut P, Pianwanit S, Kokpol S, Hannongbua S. Decha P, et al. Among authors: kokpol s. Biophys J. 2008 Jul;95(1):128-34. doi: 10.1529/biophysj.107.127456. Epub 2008 Mar 28. Biophys J. 2008. PMID: 18375507 Free PMC article.

6

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

7

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

8

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

9

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

10

Identification of potential hit compounds for Dengue virus NS2B/NS3 protease inhibitors by combining virtual screening and binding free energy calculations.

Wichapong K, Nueangaudom A, Pianwanit S, Sippl W, Kokpol S. Wichapong K, et al. Among authors: kokpol s. Trop Biomed. 2013 Sep;30(3):388-408. Trop Biomed. 2013. PMID: 24189670 Free article.

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