Martin Lepsik

Prague, PR 16610, Czech Republic

Last Updated: 09/26/2026

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Found 74 publications

Potent Competitive Inhibitors of Ecto-5'-nucleotidase (CD73) based on 6‑(Het)aryl-7-deazapurine Ribonucleoside 5'‑O‑Bisphosphonates.

Potent Competitive Inhibitors of Ecto-5'-nucleotidase (CD73) based on 6‑(Het)aryl-7-deazapurine Ribonucleoside 5'‑O‑Bisphosphonates.

Journal: ACS pharmacology & translational science

Published: October 24, 2025

Structural characterization and inhibition of carbonic anhydrase from Candida parapsilosis.

Structural characterization and inhibition of carbonic anhydrase from Candida parapsilosis.

Journal: Journal of structural biology: X

Published: September 08, 2025

Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.

Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.

Journal: Journal of chemical information and modeling

Published: July 19, 2025

NMR-Derived Salt Bridges in Insulin Analogue: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling.

NMR-Derived Salt Bridges in Insulin Analogue: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling.

Journal: The journal of physical chemistry letters

Published: July 16, 2025

Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface.

Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface.

Journal: Journal of chemical information and modeling

Published: May 16, 2025

4-Oxo-β-lactams as Covalent Inhibitors of the Mitochondrial Intramembrane Protease PARL.

4-Oxo-β-lactams as Covalent Inhibitors of the Mitochondrial Intramembrane Protease PARL.

Journal: ACS medicinal chemistry letters

Published: August 02, 2024

Structure and unusual binding mechanism of the hyaluronan receptor LYVE-1 mediating leucocyte entry to lymphatics.

Structure and unusual binding mechanism of the hyaluronan receptor LYVE-1 mediating leucocyte entry to lymphatics.

Journal: Nature communications

Published: June 23, 2024

Extensive targeting of chemical space at the prime side of ketoamide inhibitors of rhomboid proteases by branched substituents empowers their selectivity and potency.

Extensive targeting of chemical space at the prime side of ketoamide inhibitors of rhomboid proteases by branched substituents empowers their selectivity and potency.

Journal: European journal of medicinal chemistry

Published: April 04, 2024

Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.

Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.

Journal: Journal of virology

Published: February 07, 2024

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes.

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes.

Journal: Nature communications

Published: July 20, 2023

Real-time Imaging of Nascent DNA in Live Cells by Monitoring the Fluorescence Lifetime of DNA-Incorporated Thiazole Orange-Modified Nucleotides.

Real-time Imaging of Nascent DNA in Live Cells by Monitoring the Fluorescence Lifetime of DNA-Incorporated Thiazole Orange-Modified Nucleotides.

Journal: Angewandte Chemie (International ed. in English)

Published: May 29, 2023

Helquat dyes targeting G-quadruplexes as a new class of anti-HIV-1 inhibitors.

Helquat dyes targeting G-quadruplexes as a new class of anti-HIV-1 inhibitors.

Journal: Scientific reports

Published: January 05, 2023

Showing 1-12 of 74

Last Updated: 09/26/2026