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Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT study . Rodrigo A. Cormanich, Michael Bühl, Roberto Rittner
, Org. Biomol. Chem.
, 2015
, 13
, 9206
Propensities to form the β-turn and β-hairpin structures of d -Pro-Gly and Aib-d -Ala containing peptides: a computational study . Young Kee Kang, Hae Sook Park
, New J. Chem.
, 2016
, 40
, 8565
Effects of isosteric substitutions on the conformational preference and cis –trans isomerization of proline-containing peptides . Hae Sook Park, Young Kee Kang
, New J. Chem.
, 2017
, 41
, 6593
The alanine model dipeptide Ac-Ala-NH2
exists as a mixture of C
eq
7
and C5 conformers . Carlos Cabezas, Marcelino Varela, Vanessa Cortijo, Ana I. Jiménez, Isabel Peña, Adam M. Daly, Juan C. López, Carlos Cativiela, José L. Alonso
, Phys. Chem. Chem. Phys.
, 2013
, 15
, 2580
Conformational preference of dipeptide zwitterions in aqueous solvents . Francisco Adasme-Carreño, Alvaro Ochoa-Calle, Marcelo Galván, Joel Ireta
, Phys. Chem. Chem. Phys.
, 2024
, 26
, 8210
Design of hybrid conjugates based on chemical similarity . Georgina Fabregat, Gema Ballano, Jordi Casanovas, Adèle D. Laurent, Elaine Armelin, Luis J. del Valle, Carlos Cativiela, Denis Jacquemin, Carlos Alemán
, RSC Adv.
, 2013
, 3
, 21069
Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy . R. Chaudret, B. de Courcy, J. Contreras-García, E. Gloaguen, A. Zehnacker-Rentien, M. Mons, J.-P. Piquemal
, Phys. Chem. Chem. Phys.
, 2014
, 16
, 9876
The role of amino acid side chains in stabilizing dipeptides: the laser ablation Fourier transform microwave spectrum of Ac-Val-NH2 . I. León, E. R. Alonso, S. Mata, C. Cabezas, M. A. Rodríguez, J.-U. Grabow, J. L. Alonso
, Phys. Chem. Chem. Phys.
, 2017
, 19
, 24985
Fourier transform microwave spectroscopy of Ac-Ser-NH2 : the role of side chain interactions in peptide folding . Carlos Cabezas, Martinus A. T. Robben, Anouk M. Rijs, Isabel Peña, J. L. Alonso
, Phys. Chem. Chem. Phys.
, 2015
, 17
, 20274
Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for PII
/β conformations . Marie-Pierre Gaigeot
, Phys. Chem. Chem. Phys.
, 2010
, 12
, 10198