Martin Lepsik

16PUBLICATIONS
38CO-AUTHORS
Theoretical quantum chemistryOptical properties of materialsBioinformatic methods developmentInnate immunityBiomolecular modelling and design
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Publications (16)

|Jul 19, 2025
Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.

Mehran Jalaie, Jindřich Fanfrlík, Adam Pecina

|Jul 16, 2025
NMR-Derived Salt Bridges in Insulin Analogue: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling.

Ngoc Lan Le Nguyen, Jiří Žák, Pavel Jungwirth

|May 16, 2025
Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface.

Yevgen P Yurenko, Anja Muždalo, Michaela Černeková

|Mar 21, 2025
Structure and unusual binding mechanism of the hyaluronan receptor LYVE-1 mediating leucocyte entry to lymphatics.

Fouzia Bano, Suneale Banerji, Tao Ni

|Jan 03, 2023
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.

Jindřich Fanfrlík, Jiří Brynda, Michael Kugler

|Jan 03, 2022
Engineering the Ligand Specificity of the Human Galectin-1 by Incorporation of Tryptophan Analogues.

Felix Tobola, Martin Lepšík, Syeda Rehana Zia

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Frequent Collaborators

5 joint publications

Adam Pecina

5 joint publications

Jindřich Fanfrlík

4 joint publications

Jan Řezáč

3 joint publications

Pavel Hobza