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Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Publication
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
Expression and characterization of pantothenate energy-coupling factor transporters as an anti-infective drug target
Publication
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
Simulated tempering-enhanced umbrella sampling improves convergence of free energy calculations of drug membrane permeation
Publication
Sousa C,
Becker R,
Lehr C,
Kalinina O,
Hub J
(2022)
bioRxiv, 10.1101/2022.11.13.516136
bioRxiv, 10.1101/2022.11.13.516136
Combinatorial tuning of peptidic drug candidates: high-affinity matriptase inhibitors through incremental structure-guided optimization
Publication
Fittler H,
Avrutina O,
Glotzbach B,
Empting M,
Kolmar H
(2013)
Org. Biomol. Chem., 11, 11, 1848-57, 10.1039/c3ob27469a, 23361403
Org. Biomol. Chem., 11, 11, 1848-57, 10.1039/c3ob27469a, 23361403
Pulmonary drug delivery: from generating aerosols to overcoming biological barriers-therapeutic possibilities and technological challenges
Publication
Ruge C,
Kirch J,
Lehr C
(2013)
The Lancet. Respiratory medicine, 1, 5, 402-413, 10.1016/S2213-2600(13)70072-9, 24429205
The Lancet. Respiratory medicine, 1, 5, 402-413, 10.1016/S2213-2600(13)70072-9, 24429205
Biopharmaceutical in vitro characterization of CPZEN-45, a drug candidate for inhalation therapy of tuberculosis
Publication
Salomon J,
Galeron P,
Schulte N,
Morow P,
Severynse-Stevens D,
Huwer H,
Daum N,
Lehr C,
Hickey A,
Ehrhardt C
(2013)
Therapeutic delivery, 4, 8, 915-923, 10.4155/tde.13.62
Therapeutic delivery, 4, 8, 915-923, 10.4155/tde.13.62
Influence of the application area on finite dose permeation in relation to drug type applied
Publication
Hahn T,
Selzer D,
Neumann D,
Kostka K,
Lehr C,
Schaefer U
(2012)
Experimental Dermatology, 21, 3, 233-235, 10.1111/j.1600-0625.2011.01424.x
Experimental Dermatology, 21, 3, 233-235, 10.1111/j.1600-0625.2011.01424.x
Soluplus® as an effective absorption enhancer of poorly soluble drugs in vitro and in vivo
Publication
Linn M,
Collnot E,
Djuric D,
Hempel K,
Fabian E,
Kolter K,
Lehr C
(2012)
European Journal of Pharmaceutical Sciences, 45, 3, 336-343, 10.1016/j.ejps.2011.11.025
European Journal of Pharmaceutical Sciences, 45, 3, 336-343, 10.1016/j.ejps.2011.11.025
Cell and tissue-based in vitro models for improving the development of oral inhalation drug products
Publication
Hittinger M,
Schneider-Daum N,
Lehr C
(2017)
European Journal of Pharmaceutics and Biopharmaceutics, 118, 73-78, 10.1016/j.ejpb.2017.02.019
European Journal of Pharmaceutics and Biopharmaceutics, 118, 73-78, 10.1016/j.ejpb.2017.02.019
The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery
Publication
Sommer R,
Wagner S,
Varrot A,
Nycholat C,
Khaledi A,
Häussler S,
Paulson J,
Imberty A,
Titz A
(2016)
Chem Sci, 7, 8, 4990-5001, 10.1039/c6sc00696e, 30155149
Chem Sci, 7, 8, 4990-5001, 10.1039/c6sc00696e, 30155149