Marek Freindorf

According to our database, Marek Freindorf authored at least 7 papers between 1996 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Iron-histidine bonding in bishistidyl hemoproteins-A local vibrational mode study.

Marek Freindorf, Juliana J. Antonio, Elfi Kraka

J. Comput. Chem., April, 2024

2022

CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study.

Marek Freindorf, Alexis Antoinette Ann Delgado, Elfi Kraka

J. Comput. Chem., 2022

2020

A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory.

Niraj Verma, Yunwen Tao, Wenli Zou, Xia Chen, Xin Chen, Marek Freindorf, Elfi Kraka

Sensors, 2020

2007

Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.

Marek Freindorf, Matthew D. Jones, Yihan Shao, Jing Kong, Thomas R. Furlani

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.

Marek Freindorf, Yihan Shao, Jing Kong, Thomas R. Furlani

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.

Marek Freindorf, Yihan Shao, Thomas R. Furlani, Jing Kong

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.

Marek Freindorf, Jiali Gao

J. Comput. Chem., 1996