1.

Collagen and component polypeptides : low frequency and amide vibrations.

FONTAINE-VIVE, Fabien, MERZEL, Franci, JOHNSON, Mark R., KEARLY, Gordon J. Studying molecular vibrations of collagen we found out that the vibrational modes of the amide V band corresponding to the frequency range 575-750cm-1 undergo the most significant changes during the formation of secondary and tertiary structure of collagen.

COBISS.SI-ID: 4069658

2.

NMscatt : a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations.

MERZEL, Franci, FONTAINE-VIVE, Fabien, JOHNSON, Mark R. We provide description of the method and of the program package consisting of several different modules.

COBISS.SI-ID: 3754266

3.

Lattice dynamics of a protein crystal.

MEINHOLD, Lars, MERZEL, Franci, SMITH, Jeremy C, We discuss the contribution of the diffuse scattering due to lattice vibrations (phonons) to the broadening of the Bragg peaks in protein crystal based on all-atom simulations.

COBISS.SI-ID: 3794714

4.

Atomistic model of DNA : phonons and base-bair opening

MERZEL, Franci, FONTAINE-VIVE, Fabien, JOHNSON, Mark R., KEARLY, Gordon J. We provide interpretation of low-frequency vibrations of DNA molecule and explain the origin of dispersion for a wave propagating along the helical axis. The paper was selected as a topical article of Virtual Journal of Biological Physics Research (ISSN 1553-9628, published by the American Institute of Physics and the American Physical Society.

COBISS.SI-ID: 3791130

5.

Liquid-ordered phase formation in cholesterol/sphingomyelin bilayers : all-atom molecular dynamics simulations.

ZIDAR, Jernej, MERZEL, Franci, HODOŠČEK, Milan, REBOLJ, Katja, SEPČIĆ, Kristina, MAČEK, Peter, JANEŽIČ, Dušanka. Here we study structural and dynamical changes within cholesterol-sphingomyelin bilayers indicating the phase transition between liquid disordered and liquid ordered phase.

COBISS.SI-ID: 4303642