Publications of Joel Ireta
All genres
Journal Article (6)
2009
Journal Article
Ireta, Joel and Matthias Scheffler: Density functional theory study of the conformational space of an infinitely long polypeptide chain.
2008
Journal Article
Ismer, Lars, Joel Ireta and : First-principles free-energy analysis of helix stability: The origin of the low entropy in π-helices.
2005
Journal Article
Ireta, Joel, Jörg Neugebauer, Matthias Scheffler, and : Structural transitions in the polyalanine α-Helix under uniaxial strain.
Journal Article
Ismer, Lars, Joel Ireta, Sixten Boeck and Jörg Neugebauer: Phonon spectra and thermodynamic properties of the infinite polyalanine α helix: A density-functional-theory-based harmonic vibrational analysis.
2004
Journal Article
Ireta, Joel, Jörg Neugebauer and Matthias Scheffler: On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality.
2003
Journal Article
Ireta, Joel, Jörg Neugebauer, Matthias Scheffler, and : Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices.