ArticleJournal of the American Chemical Society2006
Temperature- and length-dependent energetics of formation for polyalanine helices in water: assignment of w(Ala)(n,T) and temperature-dependent CD ellipticity standards.
Article in Journal of the American Chemical Society, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 35 citations in OpenAlex.
- Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions.Communications chemistry · 2023Article
- Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics.Biophysical journal · 2021Article
- Using Cooperatively Folded Peptides To Measure Interaction Energies and Conformational Propensities.Accounts of chemical research · 2017Article
- Article
- Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives.The Journal of chemical physics · 2012Article
- Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory.The journal of physical chemistry. B · 2012Article
- Opioid glycopeptide analgesics derived from endogenous enkephalins and endorphins.Future medicinal chemistry · 2012Review
- The importance of hydrogen bonding between the glutamine side chains to the formation of amyloid VQIVYK parallel beta-sheets: an ONIOM DFT/AM1 study.Journal of the American Chemical Society · 2010Article
- Context-independent, temperature-dependent helical propensities for amino acid residues.Journal of the American Chemical Society · 2009Article
- Lysine and arginine residues do not increase the helicity of alanine-rich peptide helices.Chemical communications (Cambridge, England) · 2008Article
- Structural insights for designed alanine-rich helices: comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation.Biopolymers · 2008Article
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
Abstract
Length-dependent helical propensities w(Ala)(n,T) at T = 10, 25, and 60 degrees C are assigned from t/c values and NMR 13C chemical shifts for series 1 peptides TrpLys(m)Inp2(t)Leu-Ala(n)(t)LeuInp2Lys(m)NH2, n = 15, 19, and 25, m = 5, in water. Van't Hoff analysis of w(Ala)(n,T) show that alpha-helix formation is primarily enthalpy-driven. For series 2 peptides Ac-Trp Lys5Inp2(t)Leu-(beta)AspHel-Ala(n)-beta-(t)LeuInp2Lys5NH2, n = 12 and 22, which contain exceptionally helical Ala(n) cores, protection factor-derived fractional helicities FH are assigned in the range 10-30 degrees C in water and used to calibrate temperature-dependent CD ellipticities [theta](lambda,H,n,T). These are applied to CD data for series 1 peptides, 12 < or = n < or = 45, to confirm the w(Ala)(n,T) assignments at T = 25 and 60 degrees C. The [theta](lambda,H,n,T) are temperature dependent within the wavelength region, 222 +/- 12 nm, and yield a temperature correction for calculation of FH from experimental values of [theta](222,n,T,Exp).
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