Andrej Perdih

Orcid: 0000-0002-6645-9231

According to our database1, Andrej Perdih authored at least 10 papers between 2013 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Machine learning heralding a new development phase in molecular dynamics simulations.
Artif. Intell. Rev., 2024

2023
All-Atom Simulations Reveal the Intricacies of Signal Transduction upon Binding of the HLA-E Ligand to the Transmembrane Inhibitory CD94/NKG2A Receptor.
J. Chem. Inf. Model., June, 2023

2022
Catalytic Mechanism of ATP Hydrolysis in the ATPase Domain of Human DNA Topoisomerase IIα.
J. Chem. Inf. Model., 2022

2021
All-Atom Simulations Reveal a Key Interaction Network in the HLA-E/NKG2A/CD94 Immune Complex Fine-Tuned by the Nonameric Peptide.
J. Chem. Inf. Model., 2021

2020
Substituted 4, 5′-Bithiazoles as Catalytic Inhibitors of Human DNA Topoisomerase IIα.
J. Chem. Inf. Model., 2020


2015
Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization.
J. Comput. Aided Mol. Des., 2015

2014
Inhibitor Design Strategy Based on an Enzyme Structural Flexibility: A Case of Bacterial MurD Ligase.
J. Chem. Inf. Model., 2014

2013
Cluster-based molecular docking study for <i>in silico</i> identification of novel 6-fluoroquinolones as potential inhibitors against <i>mycobacterium tuberculosis</i>.
J. Comput. Chem., 2013

Molecular dynamics simulation and linear interaction energy study of d-Glu-based inhibitors of the MurD ligase.
J. Comput. Aided Mol. Des., 2013


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