Heme isomers substantially affect heme's electronic structure and function

Utility of heme analogues to intentionally modify heme–globin interactions in myoglobin

(2016) Saburo Neya et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Theoretical Study of Spin Crossover in 30 Iron Complexes

(2016) Kasper P. Kepp   INORGANIC CHEMISTRY

Structure of photosystem II and substrate binding at room temperature

(2016) Iris D. Young et al.   NATURE

Biological Significance and Applications of Heme c Proteins and Peptides

(2015) Jesse G. Kleingardner et al.   ACCOUNTS OF CHEMICAL RESEARCH

Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes

(2015) Dipankar Sahoo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reaction Mechanism of Cytochrome c Oxidase

(2015) Shinya Yoshikawa et al.   CHEMICAL REVIEWS

Spin Propensities of Octahedral Complexes From Density Functional Theory

(2015) Sara R. Mortensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of heme modification on oxygen affinity and cooperativity of human adult hemoglobin

(2015) Tomokazu Shibata et al.   JOURNAL OF PORPHYRINS AND PHTHALOCYANINES

Heme Enzyme Structure and Function

(2014) Thomas L. Poulos   CHEMICAL REVIEWS

Heme oxygenation and the widening paradigm of heme degradation

(2013) Angela Wilks et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

How does hemoglobin generate such diverse functionality of physiological relevance?

(2013) Takashi Yonetani et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

O2Binding to Heme is Strongly Facilitated by Near-Degeneracy of Electronic States

(2013) Kasper P. Kepp   CHEMPHYSCHEM

Probing Heme Vibrational Anisotropy: An Imidazole Orientation Effect?

(2013) Qian Peng et al.   INORGANIC CHEMISTRY

Effect of Distal Interactions on O2 Binding to Heme

(2013) Kasper P. Kepp et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Unfolding Simulations of Holomyoglobin from Four Mammals: Identification of Intermediates and β-Sheet Formation from Partially Unfolded States

(2013) Pouria Dasmeh et al.   PLoS One

CO, NO and O2 as vibrational probes of heme protein interactions

(2012) Thomas G. Spiro et al.   COORDINATION CHEMISTRY REVIEWS

Consistent descriptions of metal–ligand bonds and spin-crossover in inorganic chemistry

(2012) Kasper P. Kepp   COORDINATION CHEMISTRY REVIEWS

Lessons on O2 and NO bonding to heme from ab initio multireference/multiconfiguration and DFT calculations

(2011) Sason Shaik et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

The ground states of iron(III) porphines: Role of entropy–enthalpy compensation, Fermi correlation, dispersion, and zero-point energies

(2011) Kasper P. Kepp   JOURNAL OF INORGANIC BIOCHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Comparing the electronic properties and docking calculations of heme derivatives on CYP2B4

(2008) Jessica E. Mendieta-Wejebe et al.   JOURNAL OF MOLECULAR MODELING

Nature of the Fe−O2Bonding in Oxy-Myoglobin: Effect of the Protein

(2008) Hui Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Reversed Heme Orientation on Circular Dichroism and Cooperative Oxygen Binding of Human Adult Hemoglobin†

(2007) Masako Nagai et al.   BIOCHEMISTRY

The impact of altered protein-heme interactions on the resonance Raman spectra of heme proteins. Studies of heme rotational disorder

(2007) Freeborn Rwere et al.   BIOPOLYMERS