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Thermoresponsive cholesteric liquid-crystal systems doped with terpenoids as drug delivery systems for skin applications
Publikation
Nesterkina M,
Vashchenko O,
Vashchenko P,
Lisetski L,
Kravchenko I,
Hirsch A,
Lehr C
(2023)
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, 10.1016/j.ejpb.2023.09.002, 37669726
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, 10.1016/j.ejpb.2023.09.002, 37669726
Simulated Tempering-Enhanced Umbrella Sampling Improves Convergence of Free Energy Calculations of Drug Membrane Permeation
Publikation
Sousa C,
Becker R,
Lehr C,
Kalinina O,
Hub J
(2023)
Journal of chemical theory and computation, 19, 6, 1898-1907, 10.1021/acs.jctc.2c01162, 36853966
Journal of chemical theory and computation, 19, 6, 1898-1907, 10.1021/acs.jctc.2c01162, 36853966
Fragment Based Drug Discovery by Microscale Thermophoresis Targeting Klebsiella pneumoniae and Escherichia coli IspE
Publikation
Walsh D,
Willocx D,
Hamid R,
Hamed M,
Hirsch A
(2025)
Drug design, development and therapy, 19, 11345-11353, 10.2147/DDDT.S538771, 41439264
Drug design, development and therapy, 19, 11345-11353, 10.2147/DDDT.S538771, 41439264
Tailored phenyl ureas eradicate drug-resistant Mycobacterium tuberculosis by targeting mycolic acid cell wall assembly
Publikation
Mostert D,
Braun J,
Zimmerman M,
Engelhart C,
Berndl S,
Quoika P,
Kany A,
Proietto J,
Penalva-Lopez S,
Wallach J,
Hirsch A,
Zacharias M,
Schnappinger D,
Dartois V,
Sieber S
(2025)
Chem. Sci., 10.1039/d5sc02565f, 40313523
Chem. Sci., 10.1039/d5sc02565f, 40313523
Expression and characterization of pantothenate energy-coupling factor transporters as an anti-infective drug target
Publikation
Shams A,
Bousis S,
Diamanti E,
Elgaher W,
Zeimetz L,
Haupenthal J,
slotboom d,
Hirsch A
(2024)
Protein Sci., 33, 11, 10.1002/pro.5195, 39473025
Protein Sci., 33, 11, 10.1002/pro.5195, 39473025
Drug Administration Routes Impact the Metabolism of a Synthetic Cannabinoid in the Zebrafish Larvae Model
Publikation
Park Y,
Meyer M,
Müller R,
Herrmann J
(2020)
Molecules, 25, 19, 10.3390/molecules25194474
Molecules, 25, 19, 10.3390/molecules25194474
A shift of dynamic equilibrium between the KIT active and inactive states causes drug resistance
Publikation
Srikakulam S,
Bastys T,
Kalinina O
(2020)
Proteins, 10.1002/prot.25963, 32530065
Proteins, 10.1002/prot.25963, 32530065
Human microbial metabolite mimicry as a strategy to expand the chemical space of potential drugs
Publikation
Li H,
Ranhotra H,
Mani S,
Dvorák Z,
Sokol H,
Müller R
(2020)
Drug Discov. Today, 25, 9, 1575-1579, 10.1016/j.drudis.2020.06.007, 32562605
Drug Discov. Today, 25, 9, 1575-1579, 10.1016/j.drudis.2020.06.007, 32562605
Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Publikation
Bastys T,
Gapsys V,
Doncheva N,
Kaiser R,
Groot B,
Kalinina O
(2018)
Journal of chemical theory and computation, 14, 7, 3397-3408, 10.1021/acs.jctc.7b01109, 29847122
Journal of chemical theory and computation, 14, 7, 3397-3408, 10.1021/acs.jctc.7b01109, 29847122
In vitro models for evaluating safety and efficacy of novel technologies for skin drug delivery
Publikation
Planz V,
Lehr C,
Windbergs M
(2016)
Journal of Controlled Release, 242, 89-104, 10.1016/j.jconrel.2016.09.002
Journal of Controlled Release, 242, 89-104, 10.1016/j.jconrel.2016.09.002