Vyzkoušejte nový nástroj s podporou AI
Summon Research Assistant
BETA
Calcium Binding to Calmodulin by Molecular Dynamics with Effective Polarization
Kohagen, Miriam, Lepšík, Martin, Jungwirth, Pavel
Published in The journal of physical chemistry letters (20.11.2014)
Published in The journal of physical chemistry letters (20.11.2014)
Get full text
Journal Article
Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein–Ligand Scoring Functions with MD-Based Free Energy Calculations
Jalaie, Mehran, Fanfrlík, Jindřich, Pecina, Adam, Lepšík, Martin, Řezáč, Jan
Published in Journal of chemical information and modeling (11.08.2025)
Published in Journal of chemical information and modeling (11.08.2025)
Get full text
Journal Article
The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics
Fanfrlík, Jindřich, Přáda, Adam, Padělková, Zdeňka, Pecina, Adam, Macháček, Jan, Lepšík, Martin, Holub, Josef, Růžička, Aleš, Hnyk, Drahomír, Hobza, Pavel
Published in Angewandte Chemie International Edition (15.09.2014)
Published in Angewandte Chemie International Edition (15.09.2014)
Get full text
Journal Article
Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures
Zoll, Sebastian, Stanchev, Stancho, Began, Jakub, Škerle, Jan, Lepšík, Martin, Peclinovská, Lucie, Majer, Pavel, Strisovsky, Kvido
Published in The EMBO journal (16.10.2014)
Published in The EMBO journal (16.10.2014)
Get full text
Journal Article
Real‐time Imaging of Nascent DNA in Live Cells by Monitoring the Fluorescence Lifetime of DNA‐Incorporated Thiazole Orange‐Modified Nucleotides
Kuba, Miroslav, Khoroshyy, Petro, Lepšík, Martin, Kužmová, Erika, Kodr, David, Kraus, Tomáš, Hocek, Michal
Published in Angewandte Chemie International Edition (18.09.2023)
Published in Angewandte Chemie International Edition (18.09.2023)
Get full text
Journal Article
QM/MM Calculations Reveal the Different Nature of the Interaction of Two Carborane-Based Sulfamide Inhibitors of Human Carbonic Anhydrase II
Pecina, Adam, Lepšík, Martin, Řezáč, Jan, Brynda, Jiří, Mader, Pavel, Řezáčová, Pavlína, Hobza, Pavel, Fanfrlík, Jindřich
Published in The journal of physical chemistry. B (19.12.2013)
Published in The journal of physical chemistry. B (19.12.2013)
Get full text
Journal Article
In Vitro Evolution Reveals Noncationic Protein–RNA Interaction Mediated by Metal Ions
Giacobelli, Valerio G, Fujishima, Kosuke, Lepšík, Martin, Tretyachenko, Vyacheslav, Kadavá, Tereza, Makarov, Mikhail, Bednárová, Lucie, Novák, Petr, Hlouchová, Klára
Published in Molecular biology and evolution (02.03.2022)
Published in Molecular biology and evolution (02.03.2022)
Get full text
Journal Article
Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure–Activity Relationship and Binding Mode Analysis
Houštecká, Radka, Hadzima, Martin, Fanfrlík, Jindřich, Brynda, Jiří, Pallová, Lenka, Hánová, Iva, Mertlíková-Kaiserová, Helena, Lepšík, Martin, Horn, Martin, Smrčina, Martin, Majer, Pavel, Mareš, Michael
Published in Journal of medicinal chemistry (27.02.2020)
Published in Journal of medicinal chemistry (27.02.2020)
Get full text
Journal Article
Structure and unusual binding mechanism of the hyaluronan receptor LYVE-1 mediating leucocyte entry to lymphatics
Bano, Fouzia, Banerji, Suneale, Ni, Tao, Green, Dixy E., Cook, Kalila R., Manfield, Iain W., DeAngelis, Paul L., Paci, Emanuele, Lepšík, Martin, Gilbert, Robert J. C., Richter, Ralf P., Jackson, David G.
Published in Nature communications (20.03.2025)
Published in Nature communications (20.03.2025)
Get full text
Journal Article
Discovery of N 2‑(4-Amino-cyclohexyl)-9-cyclopentyl‑N 6‑(4-morpholin-4-ylmethyl-phenyl)-9H-purine-2,6-diamine as a Potent FLT3 Kinase Inhibitor for Acute Myeloid Leukemia with FLT3 Mutations
Gucký, Tomáš, Řezníčková, Eva, Radošová Muchová, Tereza, Jorda, Radek, Klejová, Zuzana, Malínková, Veronika, Berka, Karel, Bazgier, Václav, Ajani, Haresh, Lepšík, Martin, Divoký, Vladimír, Kryštof, Vladimír
Published in Journal of medicinal chemistry (10.05.2018)
Published in Journal of medicinal chemistry (10.05.2018)
Get full text
Journal Article
Metallacarboranes and their interactions: theoretical insights and their applicability
Farràs, Pau, Juárez-Pérez, Emilio J., Lepšík, Martin, Luque, Rafael, Núñez, Rosario, Teixidor, Francesc
Published in Chemical Society reviews (07.05.2012)
Published in Chemical Society reviews (07.05.2012)
Get full text
Journal Article
Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes
Pecina, Adam, Lepšík, Martin, Hnyk, Drahomír, Hobza, Pavel, Fanfrlík, Jindřich
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.02.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.02.2015)
Get full text
Journal Article
Helquat dyes targeting G-quadruplexes as a new class of anti-HIV-1 inhibitors
Pávová, Marcela, Reyes-Gutiérrez, Paul Eduardo, Kozák, Jaroslav, Dobiaš, Juraj, Yurenko, Yevgen, Lepšík, Martin, Teplý, Filip, Weber, Jan
Published in Scientific reports (13.04.2023)
Published in Scientific reports (13.04.2023)
Get full text
Journal Article
Engineering the Ligand Specificity of the Human Galectin‐1 by Incorporation of Tryptophan Analogues
Tobola, Felix, Lepšík, Martin, Zia, Syeda Rehana, Leffler, Hakon, Nilsson, Ulf J., Blixt, Ola, Imberty, Anne, Wiltschi, Birgit
Published in Chembiochem : a European journal of chemical biology (04.03.2022)
Published in Chembiochem : a European journal of chemical biology (04.03.2022)
Get full text
Journal Article
Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes
Benýšek, Jakub, Buša, Michal, Rubešová, Petra, Fanfrlík, Jindřich, Lepšík, Martin, Brynda, Jiří, Matoušková, Zuzana, Bartz, Ulrike, Horn, Martin, Gütschow, Michael, Mareš, Michael
Published in Journal of enzyme inhibition and medicinal chemistry (01.12.2022)
Published in Journal of enzyme inhibition and medicinal chemistry (01.12.2022)
Get full text
Journal Article
Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study
Vorlová, Barbora, Nachtigallová, Dana, Jirásková-Vaníčková, Jana, Ajani, Haresh, Jansa, Petr, Řezáč, Jan, Fanfrlík, Jindřich, Otyepka, Michal, Hobza, Pavel, Konvalinka, Jan, Lepšík, Martin
Published in European journal of medicinal chemistry (07.01.2015)
Published in European journal of medicinal chemistry (07.01.2015)
Get full text
Journal Article