| How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? U Arsawang, O Saengsawang, T Rungrotmongkol, P Sornmee, ... Journal of Molecular Graphics and Modelling 29 (5), 591-596, 2011 | 169 | 2011 |
| Accurate prediction of protonation state as a prerequisite for reliable MM‐PB (GB) SA binding free energy calculations of HIV‐1 protease inhibitors K Wittayanarakul, S Hannongbua, M Feig Journal of computational chemistry 29 (5), 673-685, 2008 | 81 | 2008 |
| Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations K Wittayanarakul, O Aruksakunwong, S Saen-oon, W Chantratita, ... Biophysical journal 88 (2), 867-879, 2005 | 75 | 2005 |
| A detailed binding free energy study of 2: 1 ligand–DNA complex formation by experiment and simulation W Treesuwan, K Wittayanarakul, NG Anthony, G Huchet, H Alniss, ... Physical Chemistry Chemical Physics 11 (45), 10682-10693, 2009 | 68 | 2009 |
| Thermodynamics and kinetics of cationic/anionic dyes adsorption on cross-linked chitosan R Chanajaree, M Sriuttha, VS Lee, K Wittayanarakul Journal of Molecular Liquids 322, 114507, 2021 | 37 | 2021 |
| Doing the methylene shuffle–Further insights into the inhibition of mitotic kinesin Eg5 with S-trityl l-cysteine MN Abualhasan, JAD Good, K Wittayanarakul, NG Anthony, G Berretta, ... European journal of medicinal chemistry 54, 483-498, 2012 | 27 | 2012 |
| Structure and dynamics of SARS coronavirus proteinase: the primary key to the designing and screening for anti-SARS drugs VS Lee, K Wittayanarakul, T Remsungnen, V Parasuk, P Sompornpisut, ... Sci Asia 29, 181-188, 2003 | 27 | 2003 |
| Current development on HIV-1 protease inhibitors O Aruksakunwong, S Promsri, K Wittayanarakul, P Nimmanpipug, VS Lee, ... Current Computer-Aided Drug Design 3 (3), 201-213, 2007 | 21 | 2007 |
| Molecular dynamic and free energy studies of primary resistance mutations in HIV-1 protease− ritonavir complexes O Aruksakunwong, P Wolschann, S Hannongbua, P Sompornpisut Journal of chemical information and modeling 46 (5), 2085-2092, 2006 | 20 | 2006 |
| Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: molecular dynamic simulations K Wittayanarakul, O Aruksakunwong, P Sompornpisut, V Sanghiran-Lee, ... Journal of chemical information and modeling 45 (2), 300-308, 2005 | 20 | 2005 |
| Colorimetric detection of Pb2+ ions using curcumin silver nanoparticles R Chanajaree, C Ratanatawanate, S Ruangchaithaweesuk, VS Lee, ... Journal of Molecular Liquids 343, 117629, 2021 | 10 | 2021 |
| Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations O Aruksakunwong, K Wittayanarakul, P Sompornpisut, V Sanghiran, ... Journal of Molecular Graphics and Modelling 25 (3), 324-332, 2006 | 10 | 2006 |
| Ranking ligand affinity for the DNA minor groove by experiment and simulation K Wittayanarakul, NG Anthony, W Treesuwan, S Hannongbua, H Alniss, ... ACS Medicinal Chemistry Letters 1 (8), 376-380, 2010 | 8 | 2010 |
| Discrimination of native-like states of membrane proteins with implicit membrane-based scoring functions B Dutagaci, K Wittayanarakul, T Mori, M Feig Journal of chemical theory and computation 13 (6), 3049-3059, 2017 | 5 | 2017 |
| Pharmacogenetics of cytochrome P450 2D6: a translational medicine perspective IM Shah, CJ Breslin, K Wittayanarakul, SP Mackay The Open Conference Proceedings Journal 1 (1), 2010 | 4 | 2010 |
| A Combined Experimental/Computational Study on Adsorption of Fe2+ by Cigarette Filter Added with Chitosan M SRIUTTHA, R CHANAJAREE, W TONGPOOTHORN, ... Asian Journal of Chemistry 26 (2014), S189-S194, 2014 | 3 | 2014 |
| On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes K Wittayanarakul, S Hannongbua, M Feig BMC Systems Biology 1 (Suppl 1), P58, 2007 | 2 | 2007 |
| Development and Evaluation of Topical Zinc Oxide Nanogels Formulation Using Dendrobium anosmum and Its Effect on Acne Vulgaris YY Tan, LS Wong, KL Nyam, K Wittayanarakul, NA Zawawi, K Rajendran, ... Molecules 28 (19), 6749, 2023 | 1 | 2023 |
| Comparison of Thermodynamics and Kinetics of Malachite Green Adsorption onto Chitin and Chitosan. M Sriuttha, K Wittayanarakul Asian Journal of Chemistry 27 (11), 2015 | 1 | 2015 |
| Small Gas Molecules on Functionalized Single-Walled Carbon Nanotubes: Gas Sensor Application R CHANAJAREE, K WITTAYANARAKUL Asian Journal of Chemistry 26 (2014), S267-S270, 2014 | | 2014 |
