Martin Lepšík

All publications

Latest publications

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

U. Šinkevičiüté M. Šímová R. Staník L. Poštová Slavětínská K. Blažková P. Šácha M. Lepšík J. Řezáč J. Konvalinka T. Ormsby M. Tichý M. Hocek

ACS Pharmacology & Translational Science 2025: Early View

Structural characterization and inhibition of carbonic anhydrase from Candida parapsilosis

J. Dostál Z. Uhrová M. Škrlová S. Macháček K. Clarová M. Lepšík O. Bulvas M. Vrábel O. Heidingsfeld I. Pichová

Journal of Structural Biology: X 12: 100140 (2025)

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

M. Jalaie J. Fanfrlík A. Pecina M. Lepšík J. Řezáč

Journal of Chemical Information and Modeling 65 (15): 8127–8136 (2025)

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

N. L. Le Nguyen J. Žák P. Jungwirth M. Lepšík

Journal of Physical Chemistry Letters 16 (29): 7436–7442 (2025)