Zobrazeno 1 - 10
of 159
pro vyhledávání: '"Young Kee Kang"'
Publikováno v:
ACS Omega, Vol 4, Iss 5, Pp 8862-8873 (2019)
Externí odkaz:
https://doaj.org/article/800845dc4784421aa37cafd7f83f2544
Autor:
Young Kee Kang, Hae Sook Park
Publikováno v:
Heliyon, Vol 6, Iss 8, Pp e04721- (2020)
The conformational preferences of the cationic nylon-3 βNM [(3R,4)-diaminobutanoic acid, dAba] dipeptide in water were explored as the first step to understand the mode of action of polymers of βNM against phylogenetically diverse and intrinsically
Externí odkaz:
https://doaj.org/article/99863530b3da429385f545242deb43d8
Publikováno v:
ChemistryOpen, Vol 11, Iss 3, Pp n/a-n/a (2022)
Abstract The conformational preferences of oligopeptides of an ϵ‐amino acid (2‐((1R,3S)‐3‐(aminomethyl)cyclopentyl)acetic acid, Amc5a) with a cyclopentane substituent in the Cβ−Cγ−Cδ sequence of the backbone were investigated using DF
Externí odkaz:
https://doaj.org/article/5cf43bb8d0e644218906b3c74f60fba4
Autor:
Hae Sook Park, Young Kee Kang
Publikováno v:
RSC Advances. 13:3079-3082
The helix preferences of the heterochiral pentamers of c-ACHC and c-ACPC with alternating backbone configurations by replacing Cβ- or Cα-aza-peptide residues were studied using DFT methods in solution.
Publikováno v:
ACS omega. 7(31)
The conformational preferences of Leu-enkephalin (Leu-Enk) were explored by the conformational search and density functional theory (DFT) calculations. By a combination of low-energy conformers of each residue, the initial structures of the neutral L
Autor:
Hae Sook Park, Young Kee Kang
Publikováno v:
New Journal of Chemistry. 45:9780-9793
Puckering transitions of the proline residue for Ac-Pro-X (X = OH, OMe, and NHMe) with trans and cis prolyl peptide bonds were explored along the pseudorotation phase angle using DFT methods in the gas phase and in water. It is observed that the puck
Autor:
Hae Sook Park, Young Kee Kang
Publikováno v:
ChemistryOpen
Invited for this month's cover picture is the group of Young Kee Kang at Chungbuk National University (Republic of Korea). The cover picture shows the preferred conformation of the hexamer of ϵ‐amino acid Amc(5)a with a cyclopentane substituent in
Publikováno v:
ACS Omega, Vol 4, Iss 5, Pp 8862-8873 (2019)
The mechanism of the asymmetric addition of aldehyde (butanal) to nitroolefin (β-nitrostyrene) catalyzed by H-d-Pro-Pro-Glu-NH2 (dPPE-NH2; 1) was explored using density functional theory methods in chloroform. By conformational search, it was confir
Autor:
Jean-Marc Campagne, Matthieu Simon, Renata Marcia de Figueiredo, Arie van der Lee, Dan Dumitrescu, Jean-Louis Bantignies, Young Kee Kang, Ludovic T. Maillard, Baptiste Legrand, Julie Aguesseau-Kondrotas
Publikováno v:
Chemistry-A European Journal
Chemistry-A European Journal, Wiley-VCH Verlag, 2019, 25 (30), pp.7396-7401. ⟨10.1002/chem.201901221⟩
Chemistry-A European Journal, Wiley-VCH Verlag, 2019, 25 (30), pp.7396-7401. ⟨10.1002/chem.201901221⟩
International audience; As three‐dimensional folding is prerequisite to biopolymer activity, complex functions may also be achieved through foldamer science. Because of the diversity of sizes, shapes and folding available with synthetic monomers, f
Autor:
Young Kee Kang, Hae Sook Park
Publikováno v:
New Journal of Chemistry. 43:17159-17173
The performances of the M06-2X and ωB97X-D functionals with various basis sets as well as the double-hybrid DSD-PBEP86-D3BJ/cc-pVTZ level of theory with the implicit PCM and SMD solvation methods were assessed for the conformational preferences of A