Marek Freindorf
Orcid: 0000-0001-5285-5455
According to our database1,
Marek Freindorf
authored at least 8 papers
between 1996 and 2025.
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2020
2025
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Bibliography
2025
A Closer Look at the FeS Heme Bonds in <i>Azotobacter vinelandii</i> Bacterioferritin: QM/MM and Local Mode Analysis.
J. Comput. Chem., 2025
2024
J. Comput. Chem., April, 2024
2022
CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study.
J. Comput. Chem., 2022
2020
A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory.
Sensors, 2020
2007
Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.
Proceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering, 2007
2006
Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin.
Proceedings of the 2006 International Conference on Bioinformatics & Computational Biology, 2006
2005
Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
J. Comput. Chem., 2005
1996
Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set.
J. Comput. Chem., 1996