Martin Lepsik
Martin Lepsik
Marie Sklodowska-Curie Individual Fellowship, CERMAV, CNRS, Grenoble,France
E-mailová adresa ověřena na: cermav.cnrs.fr
Název
Citace
Citace
Rok
Aurora kinase inhibitors: progress towards the clinic
M Kollareddy, D Zheleva, P Dzubak, PS Brahmkshatriya, M Lepsik, ...
Investigational new drugs 30 (6), 2411-2432, 2012
2122012
Interaction of carboranes with biomolecules: formation of dihydrogen bonds
J Fanfrlík, M Lepšík, D Horinek, Z Havlas, P Hobza
ChemPhysChem 7 (5), 1100-1105, 2006
1282006
Design of HIV protease inhibitors based on inorganic polyhedral metallacarboranes
P Rezacova, J Pokorná, J Brynda, M Kozisek, P Cigler, M Lepsik, ...
Journal of medicinal chemistry 52 (22), 7132-7141, 2009
1192009
The dominant role of chalcogen bonding in the crystal packing of 2D/3D aromatics
J Fanfrlík, A Přáda, Z Padělková, A Pecina, J Macháček, M Lepšík, ...
Angewandte Chemie 126 (38), 10303-10306, 2014
982014
Inorganic polyhedral metallacarborane inhibitors of HIV protease: a new approach to overcoming antiviral resistance
M Kožíšek, P Cígler, M Lepšík, J Fanfrlík, P Řezáčová, J Brynda, ...
Journal of medicinal chemistry 51 (15), 4839-4843, 2008
912008
Metallacarboranes and their interactions: theoretical insights and their applicability
P Farras, EJ Juárez-Pérez, M Lepšík, R Luque, R Núñez, F Teixidor
Chemical Society Reviews 41 (9), 3445-3463, 2012
872012
Modulation of aldose reductase inhibition by halogen bond tuning
J Fanfrlík, M Kolář, M Kamlar, D Hurný, FX Ruiz, A Cousido-Siah, ...
ACS chemical biology 8 (11), 2484-2492, 2013
742013
Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate–peptide complex structures
S Zoll, S Stanchev, J Began, J Škerle, M Lepšík, L Peclinovská, P Majer, ...
The EMBO journal 33 (20), 2408-2421, 2014
722014
Efficiency of a second‐generation HIV‐1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations
M Lepšík, Z Kříž, Z Havlas
Proteins: Structure, Function, and Bioinformatics 57 (2), 279-293, 2004
722004
The semiempirical quantum mechanical scoring function for in silico drug design
M Lepsik, J Rezac, M Kolar, A Pecina, P Hobza, J Fanfrlik
ChemPlusChem 78 (9), 921, 2013
692013
Assessing the accuracy and performance of implicit solvent models for drug molecules: conformational ensemble approaches
M Kolar, J Fanfrlik, M Lepˇsik, F Forti, FJ Luque, P Hobza
The Journal of Physical Chemistry B 117 (19), 5950-5962, 2013
602013
Structural basis for inhibition of cathepsin B drug target from the human blood fluke, Schistosoma mansoni
A Jílková, P Řezáčová, M Lepšík, M Horn, J Váchová, J Fanfrlík, J Brynda, ...
Journal of Biological Chemistry 286 (41), 35770-35781, 2011
592011
Quantum mechanical scoring: structural and energetic insights into cyclin-dependent kinase 2 inhibition by pyrazolo [1, 5-a] pyrimidines
P S Brahmkshatriya, P Dobes, J Fanfrlik, J Rezac, K Paruch, A Bronowska, ...
Current computer-aided drug design 9 (1), 118-129, 2013
552013
Digestive α‐amylases of the flour moth Ephestia kuehniella– adaptation to alkaline environment and plant inhibitors
J Pytelkova, J Hubert, M Lepšík, J Šobotník, R Šindelka, I Křížková, ...
The FEBS journal 276 (13), 3531-3546, 2009
502009
Interpretation of protein/ligand crystal structure using QM/MM calculations: case of HIV-1 protease/metallacarborane complex
J Fanfrlik, J Brynda, J Rezac, P Hobza, M Lepsik
The Journal of Physical Chemistry B 112 (47), 15094-15102, 2008
492008
Inhibition of human serine racemase, an emerging target for medicinal chemistry
J Jiraskova-Vanickova, R Ettrich, B Vorlová, H E Hoffman, M Lepsik, ...
Current drug targets 12 (7), 1037-1055, 2011
472011
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study
B Vorlová, D Nachtigallová, J Jirásková-Vaníčková, H Ajani, P Jansa, ...
European journal of medicinal chemistry 89, 189-197, 2015
462015
Binding of calcium and other metal ions to the EF-hand loops of calmodulin studied by quantum chemical calculations and molecular dynamics simulations
M Lepšík, MJ Field
The Journal of Physical Chemistry B 111 (33), 10012-10022, 2007
452007
Calcium binding to calmodulin by molecular dynamics with effective polarization
M Kohagen, M Lepsik, P Jungwirth
The journal of physical chemistry letters 5 (22), 3964-3969, 2014
432014
The effect of halogen-to-hydrogen bond substitution on human aldose reductase inhibition
J Fanfrlik, FX Ruiz, A Kadlcikova, J Řezáč, A Cousido-Siah, ...
ACS chemical biology 10 (7), 1637-1642, 2015
412015
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Články 1–20