Publikationen von Joel Ireta
Alle Typen
Zeitschriftenartikel (6)
1.
Zeitschriftenartikel
131 (8), S. 085104-1 - 085104-5 (2009)
Density functional theory study of the conformational space of an infinitely long polypeptide chain. Journal of Chemical Physics 2.
Zeitschriftenartikel
112 (13), S. 4109 - 4112 (2008)
First-principles free-energy analysis of helix stability: The origin of the low entropy in π-helices. Journal of Physical Chemistry B 3.
Zeitschriftenartikel
127 (49), S. 17241 - 17244 (2005)
Structural transitions in the polyalanine α-Helix under uniaxial strain. Journal of the American Chemical Society 4.
Zeitschriftenartikel
71, S. 031911-1 - 031911-5 (2005)
Phonon spectra and thermodynamic properties of the infinite polyalanine α helix: A density-functional-theory-based harmonic vibrational analysis. Physical Review E 5.
Zeitschriftenartikel
108 (26), S. 5692 - 5698 (2004)
On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality. The Journal of Physical Chemistry A 6.
Zeitschriftenartikel
107 (6), S. 1432 - 1437 (2003)
Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices. The Journal of Physical Chemistry B