Martin Lepsik - †Institute of Organic Chemistry and Biochemistry (IOCB) and Gilead Science and IOCB Research Center, Academy of Sciences of the Czech Republic

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个人简介

Research interests: protein/small-molecule/carbohydrate structure, dynamics and binding, noncovalent interactions, structural biology, drug design Methods and techniques: molecular dynamics (MD), quantum chemistry (QM)

研究兴趣

论文共 112 篇作者统计合作学者相似作者

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Structure and Unusual Binding Mechanism of the Hyaluronan Receptor LYVE-1 Mediating Leucocyte Entry to Lymphatics

Fouzia Bano,Suneale Banerji, Tao Ni,Dixy E Green,Kalila R Cook,Iain W Manfield,Paul L DeAngelis,Emanuele Paci,Martin Lepšík,Robert J C Gilbert,Ralf P Richter,David G Jackson

Nature communicationsno. 1 (2025): 2754-2754

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

Yevgen P Yurenko, Anja Muždalo, Michaela Černeková,Adam Pecina,Jan Řezáč,Jindřich Fanfrlík,Lenka Žáková,Jiří Jiráček,Martin Lepšík

Journal of chemical information and modelingno. 11 (2025): 5690-5705

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Multiscale Computational Protocols for Accurate Residue Interactions at Flexible Protein–Protein Interfaces

Yevgen Yurenko, Anja Muzdalo, Michaela Černeková,Adam Pecina,Jan Řezáč,Jindřich Fanfrlík,Lenka Žáková,Jiří Jiráček,Martin Lepsik

crossref（2024）

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

Shanping Ji, Kathrin Bach, Vijay Madhav Miriyala,Jan Dohnalek, Miguel Riopedre-Fernandez,Martin Lepsik, Merel van de Plassche,Roeland Vanhoutte,Marta Barniol-Xicota,Rui Moreira,Kvido Strisovsky,Steven H. L. Verhelst

ACS MEDICINAL CHEMISTRY LETTERSno. 12 (2024): 2101-2106

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SQM2.20: Semiempirical Quantum-Mechanical Scoring Function Yields DFT-quality Protein–ligand Binding Affinity Predictions in Minutes

Adam Pecina,Jindřich Fanfrlík,Martin Lepšík,Jan Řezáč

NATURE COMMUNICATIONS（2024）

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Structural Insights into the Interaction Between Adenovirus C5 Hexon and Human Lactoferrin

Arun Dhillon,B. David Persson,Alexander N. Volkov,Hagen Sulzen,Alan Kadek,Petr Pompach,Sami Kereiche,Martin Lepsik,Katarina Danskog,Charlotte Uetrecht,Niklas Arnberg,Sebastian Zoll

JOURNAL OF VIROLOGY（2024）

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Testing Charge-Scaling Protocols for More Realistic Description of Salt Bridges in Molecular Dynamics Simulations of Insulin Analog

Ngoc Lan Le Nguyen,Pavel Jungwirth,Martin Lepsik

Biophysical Journalno. 3 (2024): 423a-423a

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Extensive Targeting of Chemical Space at the Prime Side of Ketoamide Inhibitors of Rhomboid Proteases by Branched Substituents Empowers Their Selectivity and Potency

Kathrin Bach,Jan Dohnalek,Jana Skerlova, Jan Kuzmik,Edita Polachova,Stancho Stanchev,Pavel Majer,Jindich Fanfrlik,Adam Pecina,Jan Rezac,Martin Lepsik,Valentin Borshchevskiy,Vitaly Polovinkin,Kvido Strisovsky

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2024)

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

Miroslav Kuba,Petro Khoroshyy,Martin Lepsik,Erika Kuzmova,David Kodr,Tomas Kraus,Michal Hocek

Angewandte Chemie（2023）

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B–H⋯π and C–H⋯π Interactions in Protein–ligand Complexes: Carbonic Anhydrase II Inhibition by Carborane Sulfonamides

Jindrich Fanfrlik,Jiri Brynda,Michael Kugler,Martin Lepsik,Klara Pospisilova,Josef Holub,Drahomir Hnyk,Jan Nekvinda,Bohumir Gruner,Pavlina Rezacova

PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 3 (2023): 1728-1733

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