Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase

Cyclopropanations via Heme Carbenes: Basic Mechanism and Effects of Carbene Substituent, Protein Axial Ligand, and Porphyrin Substitution

(2018) Yang Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enzymatic construction of highly strained carbocycles

(2018) Kai Chen et al.   SCIENCE

Diverse Engineered Heme Proteins Enable Stereodivergent Cyclopropanation of Unactivated Alkenes

(2018) Anders M. Knight et al.   ACS Central Science

Electronic Configuration and Ligand Nature of Five-Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study

(2017) Yulong Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mutating a Highly Conserved Residue in Diverse Cytochrome P450s Facilitates Diastereoselective Olefin Cyclopropanation

(2016) Joshua G. Gober et al.   CHEMBIOCHEM

MCPB.py: A Python Based Metal Center Parameter Builder

(2016) Pengfei Li et al.   Journal of Chemical Information and Modeling

Measurement of Heme Ruffling Changes in MhuD Using UV–vis Spectroscopy

(2016) Amanda B. Graves et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computation Sheds Insight into Iron Porphyrin Carbenes’ Electronic Structure, Formation, and N–H Insertion Reactivity

(2016) Dina A. Sharon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Directed evolution of cytochrome c for carbon–silicon bond formation: Bringing silicon to life

(2016) S. B. Jennifer Kan et al.   SCIENCE

Biological Significance and Applications of Heme c Proteins and Peptides

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

Modern Organic Synthesis with α-Diazocarbonyl Compounds

(2015) Alan Ford et al.   CHEMICAL REVIEWS

The ONIOM Method and Its Applications

(2015) Lung Wa Chung et al.   CHEMICAL REVIEWS

Catalytic and Biocatalytic Iron Porphyrin Carbene Formation: Effects of Binding Mode, Carbene Substituent, Porphyrin Substituent, and Protein Axial Ligand

(2015) Rahul L. Khade et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intermolecular carbene S–H insertion catalysed by engineered myoglobin-based catalysts

(2015) Vikas Tyagi et al.   Chemical Science

Iron Porphyrin Carbenes as Catalytic Intermediates: Structures, Mössbauer and NMR Spectroscopic Properties, and Bonding

(2014) Rahul L. Khade et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly Diastereoselective and Enantioselective Olefin Cyclopropanation Using Engineered Myoglobin-Based Catalysts

(2014) Melanie Bordeaux et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Observation of a stable carbene at the active site of a thiamin enzyme

(2013) Danilo Meyer et al.   Nature Chemical Biology

X-ray absorption spectroscopic investigation of the electronic structure differences in solution and crystalline oxyhemoglobin

(2013) S. A. Wilson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct Spectroscopic Characterization of a Transitory Dirhodium Donor-Acceptor Carbene Complex

(2013) K. P. Kornecki et al.   SCIENCE

Cytochrome P450-catalyzed insertion of carbenoids into N–H bonds

(2013) Z. Jane Wang et al.   Chemical Science

Olefin Cyclopropanation via Carbene Transfer Catalyzed by Engineered Cytochrome P450 Enzymes

(2012) P. S. Coelho et al.   SCIENCE

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spectroscopic Identification of Heme Axial Ligands in HtsA That Are Involved in Heme Acquisition byStreptococcus pyogenes

(2010) Yanchao Ran et al.   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

NMR and DFT Investigation of Heme Ruffling: Functional Implications for Cytochromec

(2010) Matthew D. Liptak et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

‘Carbene Radicals’ in CoII(por)-Catalyzed Olefin Cyclopropanation

(2010) Wojciech I. Dzik et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics

(2010) J. Rittle et al.   SCIENCE

A Novel Type of Monoheme Cytochromec: Biochemical and Structural Characterization at 1.23 Å Resolution ofRhodothermus marinusCytochromec†‡

(2008) Meike Stelter et al.   BIOCHEMISTRY

Computational characterization and modeling of buckyball tweezers: density functional study of concave–convex π⋯π interactions

(2008) Yan Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS