Marek Freindorf

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 3

Top Topics

Empirical Evaluation

Evaluation Criteria

Online Learning

Top Venues

J. Comput. Chem.

Publications

Marek Freindorf, Juliana J. Antonio, Elfi Kraka
Iron-histidine bonding in bishistidyl hemoproteins-A local vibrational mode study. J. Comput. Chem. 45 (9) (2024)
Marek Freindorf, Alexis Antoinette Ann Delgado, Elfi Kraka
CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study. J. Comput. Chem. 43 (25) (2022)
Niraj Verma, Yunwen Tao, Wenli Zou, Xia Chen, Xin Chen, Marek Freindorf, Elfi Kraka
A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory. Sensors 20 (8) (2020)
Marek Freindorf, Matthew D. Jones, Yihan Shao, Jing Kong, Thomas R. Furlani
Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations. BIBE (2007)
Marek Freindorf, Yihan Shao, Jing Kong, Thomas R. Furlani
Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin. BIOCOMP (2006)
Marek Freindorf, Yihan Shao, Thomas R. Furlani, Jing Kong
Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. J. Comput. Chem. 26 (12) (2005)
Marek Freindorf, Jiali Gao
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. 17 (4) (1996)