Concepedia

Octav Caldararu

OC

23

Publications

1.1K

Citations

19

H-Index

2015

Active since

Affiliations

Lund University(Current)

European Spallation Source

Institute of Biochemistry

Romanian Academy

Technical University of Denmark

Octav Caldararu is an author at Lund University specializing in structural biology, engineering, and medicine.

ORCID

Top concepts

Publications per year

2015–2021

23

Publications

23

Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase

Lili Cao, Octav Caldararu, Amy C. Rosenzweig et al. · Angewandte Chemie International Edition · 2017 · 147 citations · Full text

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Interplay between Conformational Entropy and Solvation Entropy in Protein–Ligand Binding

Maria Luisa Verteramo, Olof Stenström, Majda Misini Ignjatović et al. · Journal of the American Chemical Society · 2019 · 132 citations · Full text

Protonation States of Homocitrate and Nearby Residues in Nitrogenase Studied by Computational Methods and Quantum Refinement

Lili Cao, Octav Caldararu, Ulf Ryde · The Journal of Physical Chemistry B · 2017 · 77 citations · Full text

Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations

Lili Cao, Octav Caldararu, Ulf Ryde · Journal of Chemical Theory and Computation · 2018 · 75 citations · Full text

Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase

Octav Caldararu, Esko Oksanen, Ulf Ryde et al. · Chemical Science · 2018 · 60 citations · Full text

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