Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulations

by Nimmanpipug P., Lee V.S., Wolschann P., Hannongbua S.
Published 2014

Effect of cyclodextrin types and co-solvent on solubility of a poorly water soluble drug

by Charumanee S., Okonogi S., Sirithunyalug J., Wolschann P., Viernstein H.
Published 2017

Effect of carrier types on the physicochemical and dissolution characteristics of ofloxacin solid dispersion

by Okonogi S., Sirithunyalung J., Sirithunyalig B., Wolschann P., Viernstein H.
Published 2014

Enhancement of piroxicam dissolution by surface solid dispersion technique

by Charumanee S., Viernstein H., Wolschann P., Sirithunyaluk J., Sirithunyaluk B.
Published 2014

Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer

by Daengngern R., Prommin C., Rungrotmongkol T., Promarak V., Wolschann P., Kungwan N.
Published 2017

Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulations

by Khuntawee W., Rungrotmongkol T., Wolschann P., Pongsawasdi P., Kungwan N., Okumura H., Hannongbua S.
Published 2017

Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)(n) (n = 1-3) clusters in the gas phase: on-the-fly dynamics simulation

by Daengngern R., Kungwan N., Wolschann P., Aquino AJ., Lischka H., Barbatti M.
Published 2014

Susceptibility of inhibitors against 3C protease of coxsackievirus A16 and enterovirus A71 causing hand, foot and mouth disease: A molecular dynamics study

by Jetsadawisut W., Nutho B., Meeprasert A., Rungrotmongkol T., Kungwan N., Wolschann P., Hannongbua S.
Published 2017

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: molecular dynamics simulation

by Wongpituk P., Nutho B., Panman W., Kungwan N., Wolschann P., Rungrotmongkol T., Nunthaboot N.
Published 2017

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

by Khuntawee W., Kunaseth M., Rungnim C., Intagorn S., Wolschann P., Kungwan N., Rungrotmongkol T., Hannongbua S.
Published 2017

Inclusion complexation of pinostrobin with various cyclodextrin derivatives

by Kicuntod J., Khuntawee W., Wolschann P., Pongsawasdi P., Chavasiri W., Kungwan N., Rungrotmongkol T.
Published 2017

Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)n (n = 1-3) clusters in the gas phase: On-the-fly dynamics simulation

by Daengngern R., Kungwan N., Wolschann P., Aquino A.J.A., Lischka H., Barbatti M.
Published 2014

The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: A TDDFT molecular dynamics study

by Kungwan N., Plasser F., Aquino A.J.A., Barbatti M., Wolschann P., Lischka H.
Published 2014

How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

by Rungnim C., Chanajaree R., Rungrotmongkol T., Hannongbua S., Kungwan N., Wolschann P., Karpfen A., Parasuk V.
Published 2017

Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH) n (n = 1-3) clusters in the gas phase: On-the-fly dynamics simulation

by Daengngern R., Kungwan N., Wolschann P., Aquino A.J.A., Lischka H., Barbatti M.
Published 2014

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

by Nutho,B., Khuntawee,W., Rungnim,C., Pongsawasdi,P., Wolschann,P., Karpfen,A., Kungwan,N., Rungrotmongkol,T.
Published 2015