What can be learned from nuclear resonance vibrational spectroscopy: Vibrational dynamics and hemes

WR Scheidt, J Li, JT Sage - Chemical reviews, 2017 - ACS Publications
Nuclear resonance vibrational spectroscopy (NRVS; also known as nuclear inelastic
scattering, NIS) is a synchrotron-based method that reveals the full spectrum of vibrational …

Recent advances in biosynthetic modeling of nitric oxide reductases and insights gained from nuclear resonance vibrational and other spectroscopic studies

S Chakraborty, J Reed, JT Sage… - Inorganic …, 2015 - ACS Publications
This Forum Article focuses on recent advances in structural and spectroscopic studies of
biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes …

Long-range modulations of electric fields in proteins

H Biava, T Schreiber, S Katz, JS Völler… - The Journal of …, 2018 - ACS Publications
Electrostatic interactions are essential for controlling the protein structure and function.
Whereas so far experimental and theoretical efforts focused on the effect of local …

[PDF][PDF] SciPhon: a data analysis software for nuclear resonant inelastic X-ray scattering with applications to Fe, Kr, Sn, Eu and Dy

N Dauphas, MY Hu, EM Baker, J Hu… - Journal of …, 2018 - journals.iucr.org
The synchrotron radiation technique of nuclear resonant inelastic X-ray scattering (NRIXS),
also known as nuclear resonance vibrational spectroscopy or nuclear inelastic scattering …

Evidence of protein collective motions on the picosecond timescale

Y He, JY Chen, JR Knab, W Zheng, AG Markelz - Biophysical journal, 2011 - cell.com
We investigate the presence of structural collective motions on a picosecond timescale for
the heme protein, cytochrome c, as a function of oxidation and hydration, using terahertz …

Moments in nuclear resonant inelastic x-ray scattering and their applications

MY Hu, TS Toellner, N Dauphas, EE Alp, J Zhao - Physical Review B …, 2013 - APS
Sum rules of the moments of the nuclear resonant inelastic x-ray scattering (NRIXS)
spectrum provide means of data analysis and information on atomic dynamics. We extend …

Experimental studies and computational modeling on cytochrome c reduction by quercetin: The role of oxidability and binding affinity

G Zazeri, APR Povinelli, NM Pavan… - Journal of Molecular …, 2021 - Elsevier
Quercetin is a potent reducing agent of cytochrome C (Cyt c). Cyt c plays a fundamental role
in the intrinsic apoptotic pathway, and there is evidence of the quercetin's role in this cellular …

Revised CHARMM force field parameters for iron‐containing cofactors of photosystem II

S Adam, M Knapp‐Mohammady, J Yi… - Journal of …, 2018 - Wiley Online Library
Photosystem II is a complex protein–cofactor machinery that splits water molecules into
molecular oxygen, protons, and electrons. All‐atom molecular dynamics simulations have …

Unveiling the structure of a novel artificial heme‐enzyme with peroxidase‐like activity: A theoretical investigation

F Perrella, U Raucci, MG Chiariello, M Chino… - …, 2018 - Wiley Online Library
Abstract Fe (III)‐Mimochrome VI (MC6) is a recently reported artificial heme‐peptide
conjugate system with a high peroxidase‐like activity. By design, its structure features a five …

Three-dimensional structural model of chicken liver sulfite oxidase in its activated form

T Utesch, MA Mroginski - The Journal of Physical Chemistry …, 2010 - ACS Publications
Sulfite oxidase (SO) catalyzes the conversion of sulfite to sulfate in almost all living
organisms. In vertebrates, the catalytic process involves a rapid intramolecular electron …