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Page 1
Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations.
Polymers (Basel). 2019 Jan 16;11(1):145. doi: 10.3390/polym11010145.
Polymers (Basel). 2019.
PMID: 30960130
Free PMC article.
Reaction of aluminum clusters with water.
Ohmura S, Shimojo F, Kalia RK, Kunaseth M, Nakano A, Vashishta P.
Ohmura S, et al. Among authors: kunaseth m.
J Chem Phys. 2011 Jun 28;134(24):244702. doi: 10.1063/1.3602326.
J Chem Phys. 2011.
PMID: 21721652
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Co-solvation effect on the binding mode of the α-mangostin/β-cyclodextrin inclusion complex.
Rungnim C, Phunpee S, Kunaseth M, Namuangruk S, Rungsardthong K, Rungrotmongkol T, Ruktanonchai U.
Rungnim C, et al. Among authors: kunaseth m.
Beilstein J Org Chem. 2015 Nov 25;11:2306-2317. doi: 10.3762/bjoc.11.251. eCollection 2015.
Beilstein J Org Chem. 2015.
PMID: 26734079
Free PMC article.
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Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics.
Khuntawee W, Kunaseth M, Rungnim C, Intagorn S, Wolschann P, Kungwan N, Rungrotmongkol T, Hannongbua S.
Khuntawee W, et al. Among authors: kunaseth m.
J Chem Inf Model. 2017 Apr 24;57(4):778-786. doi: 10.1021/acs.jcim.6b00595. Epub 2017 Mar 23.
J Chem Inf Model. 2017.
PMID: 28271890
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A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations.
Shimojo F, Hattori S, Kalia RK, Kunaseth M, Mou W, Nakano A, Nomura K, Ohmura S, Rajak P, Shimamura K, Vashishta P.
Shimojo F, et al. Among authors: kunaseth m.
J Chem Phys. 2014 May 14;140(18):18A529. doi: 10.1063/1.4869342.
J Chem Phys. 2014.
PMID: 24832337
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