Lemke, Tobias
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Lemke
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Tobias
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- VeröffentlichungZeitschriftenartikelEncoderMap(II) : Visualizing important molecular motions with improved generation of protein conformations(2019) Lemke, Tobias; Berg, Andrej; Jain, Alok; Peter, ChristineErschienen in: Journal of Chemical Information and Modeling. 2019, 59(11), pp. 4550-4560. ISSN 1549-9596. eISSN 1549-960X. Available under: doi: 10.1021/acs.jcim.9b00675
- VeröffentlichungZeitschriftenartikelBack-mapping based sampling : Coarse grained free energy landscapes as a guideline for atomistic exploration(2019) Hunkler, Simon; Lemke, Tobias; Peter, Christine; Kukharenko, OleksandraErschienen in: The Journal of Chemical Physics. 2019, 151(15), 154102. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.5115398
- VeröffentlichungZeitschriftenartikelEncoderMap : Dimensionality Reduction and Generation of Molecule Conformations(2019) Lemke, Tobias; Peter, ChristineErschienen in: Journal of Chemical Theory and Computation (JCTC). 2019, 15(2), pp. 1209-1215. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/acs.jctc.8b00975
- VeröffentlichungZeitschriftenartikelEfficient Sampling and Characterization of Free Energy Landscapes of Ion-Peptide Systems(2018) Lemke, Tobias; Peter, Christine; Kukharenko, OleksandraErschienen in: Journal of Chemical Theory and Computation : JCTC. 2018, 14(11), pp. 5476-5488. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/acs.jctc.8b00560
- VeröffentlichungZeitschriftenartikelNeural Network Based Prediction of Conformational Free Energies : a New Route toward Coarse-Grained Simulation Models(2017) Lemke, Tobias; Peter, ChristineErschienen in: Journal of Chemical Theory and Computation : JCTC. 2017, 13(12), pp. 6213-6221. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/acs.jctc.7b00864
- VeröffentlichungZeitschriftenartikelSoluble Oligomeric Nucleants : Simulations of Chain Length, Binding Strength, and Volume Fraction Effects(2017) Poon, Geoffrey G; Lemke, Tobias; Peter, Christine; Molinero, Valeria; Peters, BaronErschienen in: The Journal of Physical Chemistry Letters. 2017, 8(23), pp. 5815-5820. eISSN 1948-7185. Available under: doi: 10.1021/acs.jpclett.7b02651
- VeröffentlichungZeitschriftenartikelIn situ monitoring of diffusion of guest molecules in porous media using electron paramagnetic resonance imaging(2016) Spitzbarth, Martin; Lemke, Tobias; Drescher, MalteErschienen in: Journal of Visualized Experiments. 2016(115), e54335. eISSN 1940-087X. Available under: doi: 10.3791/54335
- VeröffentlichungZeitschriftenartikelSimultaneous Monitoring of Macroscopic and Microscopic Diffusion of Guest Molecules in Silica and Organosilica Aerogels by Spatially and Time-Resolved Electron Paramagnetic Resonance Spectroscopy(2015) Spitzbarth, Martin; Wessig, Martin; Lemke, Tobias; Schachtschneider, Andreas; Polarz, Sebastian; Drescher, MalteErschienen in: The Journal of Physical Chemistry C. 2015, 119(30), pp. 17474-17479. ISSN 1932-7447. eISSN 1932-7455. Available under: doi: 10.1021/acs.jpcc.5b05743
- VeröffentlichungZeitschriftenartikelThe Role of Chloride Ions during the Formation of Akaganéite Revisited(2015) Scheck, Johanna; Lemke, Tobias; Gebauer, DenisErschienen in: Minerals. 2015, 5(4), pp. 778-787. eISSN 2075-163X. Available under: doi: 10.3390/min5040524
- VeröffentlichungZeitschriftenartikelLong-Spaced Polyamides : Elucidating the Gap between Polyethylene Crystallinity and Hydrogen Bonding(2015) Ortmann, Patrick; Lemke, Tobias; Mecking, StefanErschienen in: Macromolecules. 2015, 48(5), pp. 1463-1472. ISSN 0024-9297. eISSN 1520-5835. Available under: doi: 10.1021/acs.macromol.5b00060
