Publications

Publications obtained in CCUC

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  • Meephon, Sutaporn; Rungrotmongkol, Thanyada; Kaiyawet, Nopporn; Puttamat, Somchintana; Pavarajarn, Varong, Surface-Dependence of Adsorption and Its Influence on Heterogeneous Photocatalytic Reaction A Case of Photocatalytic Degradation of Linuron on Zinc Oxide, Catalysis Letters, 1, 2018, 1, 10.1007/s10562-018-2300-0
    Mahalapbutr, Panupong; Nutho, Bodee; Wolschann, Peter; Chavasiri, Warinthorn; Kungwan, Nawee; Rungrotmongkol, Thanyada, Molecular insights into inclusion complexes of mansonone E and H enantiomers with various beta-cyclodextrins, Journal of Molecular Graphics and Modelling, 79, 2018, 72, 10.1016/j.jmgm.2017.11.006
    Boonamnaj, Panisak; Sompornpisut, Pornthep, Insight into the Role of the Hv1 C‑Terminal Domain in Dimer Stabilization, J. Phys. Chem. B, 122, 2018, 1037, 10.1021/acs.jpcb.7b08669
    Kicuntod, Jintawee; Sangpheak, Kanyani; Mueller, Monika; Wolschann, Peter; Viernstein, Helmut; Yanaka, Saeko; Kato, Koichi; Chavasiri, Warinthorn; Pongsawadi, Piamsook; Kungwan, Nawee; Rungrotmongkol, Thanyada, Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins, Sci. Pharm., 86, 2018, 392, 10.3390/s18020392
    Thompho, Somphob; Saengsawang, Oraphan; Rungrotmongkol, Thanyada; Kungwan, Nawee; Hannongbua, Supot, Structure and electronic properties of deformed single-walled carbon nanotubes quantum calculations, Struct Chem, 29, 2018, 39, 10.1007/s11224-017-0999-7
    Kuamit, Thanawit; Ratanasak, Manussada; Rungnim, Chompoonut; Parasuk, Vudhichai, Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakes, Journal of Molecular Modeling, 23, 2017, 355, 10.1007/s00894-017-3521-7
    Karnsomwan, Wiranpat; Netcharoensirisuk, Ponsawan; Rungrotmongkol, Thanyada; De-Eknamkul, Wanchai; Chamni, Supakarn, Synthesis, Biological Evaluation and Molecular Docking of Avicequinone C Analogues as Potential Steroid 5α-Reductase Inhibitors, Chem. Pharm. Bull., 65, 2017, 253, 10.1248/cpb.c16-00727
    Raza, Saad; Sanober, Gul; Rungrotmongkol, Thanyada; Azam, Syed, Sikander, The Vitality of Swivel Domain Motion in Performance of Enzyme I of Phosphotransferase System A Comprehensive Molecular Dynamic Study, Journal of Molecular Liquids, 242, 2017, 1184, 10.1016/j.molliq.2017.07.086
    Pongsajanukul, Pavee; Parasuk, Vudhichai; Fritzsche, Siegfried; Assabumrungrat, Suttichai; Wongsakulphasatch, Suwimol; Bovornratanaraks, Thiti; Chokbunpiam, Tatiya, Theoretical study of carbon dioxide adsorption and diffusion in MIL-127 Fe metal organic framework, Chemical Physics, 491, 2017, 118, 10.1016/j.chemphys.2017.05.009
    Nutho, Bodee; Meeprasert, Arthitaya; Chulapa, Methat; Kungwan, Nawee; Rungrotmongkol, Thanyada, Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core a steered molecular dynamics, Journal of Biomolecular Structure and Dynamics, 35, 2017, 1743, 10.1080/07391102.2016.1193444
    Kruawan, Sutiam; Ratanasak, Manussada; Chanajaree, Rungroj; Rungrotmongkol, Thanyada; Saengsawang, Oraphan; Parasuk, Vudhichai; Kungwan, Nawee; Hannongbua, Supot, Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethylene, Computational and Theoretical Chemistry, 1112, 2017, 10, 10.1016/j.comptc.2017.04.002
    Lugsanangarm, Kiattisak; Nueangaudom, Arthit; Pianwanit, Somsak; Kokpol, Sirirat; Nunthaboot, Nadtanet; Tanaka, Fumio; Taniguchi, Seiji; Chosrowjan, Haik, Dynamics of the protein structure of T169S pyranose 2-oxidase in solution Molecular dynamics simulation, Proteins, 85, 2017, 1913, 10.1002/prot.25345
    Wongsakulphasatch, Suwimol; Kiatkittipong, Worapon; Saupsor, Janenipa; Chaiwiseshphol, Jatuphol; Piroonlerkgul, Pakorn; Parasuk, Vudhichai; Assabumrungrat, Suttichai, Effect of Fe open metal site in metal-organic frameworks on post-combustion CO2 capture performance, Greenhouse Gases Science and Technology, 7, 2017, 383, 10.1002/ghg.1662
    Wongpituk, Peerapong; Nutho, Bodee; Panman, Wanwisa; Kungwan, Nawee; Wolschann, Peter; Rungrotmongkol, Thanyada; Nunthaboot, Nadtanet, Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes molecular dynamics simulation, Molecular Simulation, 43, 2017, 1356, 10.1080/08927022.2017.1356458
    Saeloh, Dennapa; Wenzel, Michaela; Rungrotmongkol, Thanyada; Hamoen, Leendert, Willem; Tipmanee, Varomyalin; Voravuthikunchai, Supayang, Piyawan, Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ, PeerJ, 1, 2017, 19, 10.7717/peerj.2962
    Nunthaboot, Nadtanet; Lugsanangarm, Kiattisak; Nueangaudom, Arthit; Pianwanit, Somsak; Kokpol, Sirirat; Tanaka, Fumio; Taniguchi, Seiji; Chosrowjan, Haik; Nakanishi, Takeshi; Kitamura, Masaya, Photoinduced electron transfer from aromatic amino acids to the excited isoalloxazine in single mutated flavin mononucleotide binding proteins Effect of the dimer formation on the rate and the electrostatic energy inside the proteins, Computational and Theoretical Chemistry, 1108, 2017, 1, 10.1016/j.comptc.2017.03.005
    Panman, Wanwisa; Nutho, Bodee; Chamni, Supakorn; Dokmaisrijan, Supaporn; Kungwan, Nawee; Rungrotmongkol, Thanyada, Computational Screening of Fatty Acid Synthase Inhibitors Against Thioesterase Domain, Journal of Biomolecular Structure and Dynamics, 17, 2017, 87, 10.1080/07391102.2017.1408496
    Khuntawee, Wasinee; Kunaseth, Manaschai; Rungnim, Chompoonut; Intagorn, Suradej; Wolschann, Peter; Kungwan, Nawee; Rungrotmongkol, Thanyada; Hannongbua, Supot, Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics, J. Chem. Inf. Model., 57, 2017, 778, 10.1021/acs.jcim.6b00595
    Mahalapbutr, Panupong; Chusuth, Phakawat; Kungwan, Nawee; Chavasiri, Warinthorn; Wolschann, Peter; Rungrotmongkol, Thanyada, Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain A molecular modeling study, Journal of Molecular Liquids, 247, 2017, 374, 10.1016/j.molliq.2017.10.021
    Nutho, Bodee; Nunthaboot, Nadtanet; Wolschann, Peter; Kingwan, Nawee; Rungrotmongkol, Thanyada, Metadynamics supports molecular dynamics simulation-based binding affinities of eucalypto and beta-cyclodextrin inclusion complexes, RSC Adv, 7, 2017, 50899, 10.1039/c7ra09387j
    Karnsomwan, Wiranpat; Rungrotmongkol, Thanyada; De-Eknamkul, Wanchai; Chamni, Supakarn, In silico structural prediction of human steroid 5a-reductase type II, Med Chem Res, 25, 2016, 1049, 10.1007/s00044-016-1541-y
    Phanich, Jiraphorn; Rungrotmongkol, Thanyada; Kungwan, Nawee; Hannongbua, Supot, Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility MD and MMPBGBSA study, J Comput Aided Mol Des, 30, 2016, 917, 10.1007/s10822-016-9981-5
    Phanich, Jiraphorn; Rungrotmongkol, Thanyada; Sindhikara, Daniel; Phongphanphanee, Saree; Yoshida, Norio; Hirata, Fumio; Kungwan, Nawee; Hannongbua, Supot, A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidase, The Protein Society, 25, 2016, 147, 10.1002/pro.2718
    Schaduangrat, Nalini; Phanich, Jiraphorn; Rungrotmongkol, Thanyada; Lerdsamran, Hatairat; Puthavathana, Pilaipan; Ubol, Sukathida, The significance of naturally occurring neuraminidase quasispecies of H5N1 avian influenza virus on resistance to oseltamivir a point of concern, Journal of General Virology, 97, 2016, 1311, 10.1099/jgv.0.000444
    Ratanasak, Manussada; Parasuk, Vudhichai, Understanding the roles of novel electron donors in Ziegler–Natta catalyzed propylene polymerization, RSC Advances, 6, 2016, 112776, 10.1039/c6ra22101g
    Meeprasert, Arthitaya; Hannongbua, Supot; Kungwan, Nawee; Rungrotmongkol, Thanyada, Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir, Mol. BioSyst, 12, 2016, 3666, 10.1039/c6mb00610h
    Puripattanavong, Jindaporn; Tungcharoen, Pattreeya; Chaniad, Prapaporn; Pianwanit, Somsak; Tewtrakul, Supinya, Anti-HIV-1 integrase effect of compounds from Aglaia andamanica leaves and molecular docking study with acute toxicity test in mice, Pharmaceutical Biology, 54, 2016, 654, 10.3109/13880209.2015.1071413
    Chaniad, Prapaporn; Wattanapiromsakul, Chatchai; Pianwanit, Somsak; Twetrakul, Supinya, Anti-HIV-1 integrase compounds from Dioscorea bulbifera and molecular docking study, Pharmaceutical Biology, 54, 2016, 1077, 10.3109/13880209.2015.1103272
    Rungnim, Chompoonut; Rungrotmongkol, Thanyada; Poo-arporn, Rungtiva P., pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan MD simulations, Journal of Molecular Graphics and Modelling, 70, 2016, 70, 10.1016/j.jmgm.2016.09.011
    Rungnim, Chompoonut; Chanajaree, Rungroj; Rungrotmongkol, Thanyada; Hannongbua, Supot; Kungwan, Nawee; Wolschann, Peter; Karpfen, Alfred; Parasuk, Vudhichai, How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster, J Mol Model, 22, 2016, 1, 10.1007/s00894-016-2937-9
    Jetsadawisut, Warin; Nutho, Bodee; Rungrotmongkol, Thanyada; Kungwan, N; Wolschann, Peter; Hannongbua, Supot, Susceptibility of inhibitors against 3C protease of coxsackievirus A16 and enterovirus A71 causing hand, foot and mouth disease A molecular dynamics study, Biophysical Chemistry, 219, 2016, 9, 10.1016/j.bpc.2016.09.005
    Kitjaruwankul, Sunan; Wapeesittipan, Pattama; Boonamnaj, Panisak; Sompornpisut, Pornthep, Inner and Outer Coordination Shells of Mg II in CorA Selectivity Filter from Molecular Dynamics Simulations, J. Phys. Chem. B, 120, 2016, 406, 10.1021/acs.jpcb.5b10925
    Khuntawee, Wasinee; Rungrotmongkol, Thanyada; Wolschann, Peter; Pongsawasdi, Piamsook; Kungwan, Nawee; Okumura, Hisashi; Hannongbua, Supot, Conformation study of epsilon-cyclodextrin Replica exchange molecular moleculardynamics simulations, Carbohydrate Polymers, 141, 2016, 99, 10.1016/j.carbpol.2015.10.018
    Nunthaboot, Nadtanet; Lugsanangarm, Kiattisak; Pianwanit, Somsak; Kokpol, Sirirat; Tanaka, Fumino; Nakanishi, Takeshi; Kitmamura, Masaya, Conformational difference between two subunits in flavin mononucleotide binding protein dimers from Desulfovibrio vulgaris MF molecular dynamics simulation, Computational Biology and Chemistry, 64, 2016, 113, 10.1016/j.compbiolchem.2016.05.007
    Kitjaruwankul, Sunan; Khrutto, Channarong; Sompornpisut, Pornthep; Farmer, B. L.; Pandey, R. B., Asymmetry in structural response of inner and outer transmembrane segments of CorA protein by a coarse-grain model, The Journal of Chemical Physics, 142, 2016, 135101, 10.1063/1.4963807
    Worawalai, Wisuttaya; Sompornpisut, Pornthep; Wacharasindhu, Sumrit; Phuwapraisirisan, Preecha, Voglibose-inspired synthesis of new potent α-glucosidase inhibitors N-1,3-dihydroxypropylaminocyclitols, Carbohydrate Research, 429, 2016, 155, 10.1016/j.carres.2016.04.014
    Tantong, Supaluk; Pringsulaka, Onanong; Weerawanich, Kamonwan; Meeprasert, Arthitaya; Rungrotmongkol, Thanyada; Sarnthima, Rakrudee; Roytrakul, Sittiruk; Sirikantaramas, Supaart, Two novel antimicrobial defensins from rice identified by gene coexpression network analyses, Peptides, 84, 2016, 7, 10.1016/j.peptides.2016.07.005