Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin-Reference-Cited by-同舟云学术

Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

Published:2018-09 Issue:5 Volume:5 Page:054101
ISSN:2329-7778
Container-title:Structural Dynamics
language:en
Short-container-title:Structural Dynamics

Author:

Chillemi Giovanni¹²,Anselmi Massimiliano³,Sanna Nico¹⁴,Padrin Cristiano¹,Balducci Lodovico⁵,Cammarata Marco⁵,Pace Elisabetta⁶,Chergui Majed⁷,Benfatto Maurizio⁶

Affiliation:

1. CINECA, SuperComputing Applications and Innovation Department, Via dei Tizii 6, 00185 Roma, Italy

2. CNR-IBBE, Via Amendola 165, 70126 Bari, Italy

3. Institute for Microbiology and Genetics, Georg-August-University Göttingen, Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany

4. CNR-NANOTEC (P.LAS.M.I. Lab), Via Amendola 122/D, 70126 Bari, Italy

5. Université de Rennes 1, CNRS, Univ. Bretagne Loire, Institut de Physique de Rennes, UMR 6251, Rennes F-35042, France

6. Laboratori Nazionali di Frascati, INFN- Via E. Fermi 44, 00044 Frascati, Italy

7. Lab. of Ultrafast Spectroscopy (LSU) and Lausanne Centre for Ultrafast Science (LACUS), Ecole Polytechnique Fédérale de Lausanne, ISIC, FSB, Station 6, CH-1015 Lausanne, Switzerland

Funder

H2020 Marie Sklodowska-Curie

National Institutes of Health

Publisher

AIP Publishing

Subject

Spectroscopy,Condensed Matter Physics,Instrumentation,Radiation

Link

http://aca.scitation.org/doi/pdf/10.1063/1.5031806

Reference62 articles.

1. MXAN and Molecular Dynamics: A New Way to Look to the XANES (X-ray Absorption Near Edge Structure) Energy Region

2. Geometrical fitting of experimental XANES spectra by a full multiple-scattering procedure