Robust molecular representations for modelling and design derived from atomic partial charges von Finkelmann, A R, Göller, A H, Schneider, G

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Robust molecular representations for modelling and design derived from atomic partial chargesElectronic supplementary information (ESI) available: Computational details, additional... von Finkelmann, A. R, Göller, A. H, Schneider, G

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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015 von Torda, AE, Evers, A, Matter, H, Shea, J-E, Van den Broek, K, Kuhn, H, Truszkowski, A, Fraaije, JH, Bulusu, KC, Bender, A, Yosipof, A, Senderowitz, H, Schulz, R, Zimmermann, MO, Ruff, M, Heidrich, J, Onlia, I, Kirchner, B, Volkamer, A, Rippmann, F, Fulle, S, Saleh, N, Haensele, E, Whitley, DC, Bureau, R, Sandmann, A, Lanig, H, Hoffgaard, F, Frach, R, Rauh, D, Kohlbacher, O, Bodnarchuk, MS, Ross, GA, Husch, T, Schütter, C, Korth, M, Mbaze, LM, Simoben, CV, Lifongo, LL, Judson, P, Pisaková, H, Petrov, A, Pervov, VS, Achenbach, J, Renner, G, Schram, J, Fourches, D, Ibezim, A, Mbah, CJ, Adikwu, UM, Nwodo, NJ, Nagy, S, Baker, D, Dubrucq, K, Ain, QU, Owen, RM, Omoto, K, Spiwok, V, Firth, M, Bojarski, AJ, Naß, A, Hennig, S, Sievers-Engler, A, Böckler, FM, Montanari, F, Ecker, GF, Grebner, C, Ulander, J, Tyrchan, C, Kramer, C, Strohfeldt, S, Horinek, D, Rupp, B, Lisurek, M, Kühne, R, Mathea, M, Mohamad-Zobir, SZ, Fu, X, Fan, T-P, Polokoff, M, Ihlenfeldt, WD, Pretzel, J, Alhalabi, Z, Fraczkiewicz, R, Clark, RD, Kos, A, Himmler, H-J, Sticht, H, Dahlgren, M, Lin, T, Krilov, G, Abel, R, Sherman, W, Schomburg, KT, Jäger, C, Wieczorek, V, Westerhoff, LM, Buchholz, M, Mittal, S, Schmidt, TJ

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Activation Barriers of Oxygen Transformation at the Active Site of [FeFe] Hydrogenases von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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MetScore: Site of Metabolism Prediction Beyond Cytochrome P450 Enzymes von Finkelmann, Arndt R., Goldmann, Daria, Schneider, Gisbert, Göller, Andreas H.

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Inaccessibility of the μ-hydride species in [FeFe] hydrogenases von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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Site of Metabolism Prediction Based on ab initio Derived Atom Representations von Finkelmann, Arndt R., Göller, Andreas H., Schneider, Gisbert

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Site of Metabolism Prediction Based on abinitio Derived Atom Representations von Finkelmann, Arndt R, Goller, Andreas H, Schneider, Gisbert

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Electric-field effects on the [FeFe]-hydrogenase active site von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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Kinetic Modeling of Hydrogen Conversion at [Fe] Hydrogenase Active-Site Models von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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Low-voltage-driven electromechanical effects of swollen liquid-crystal elastomers von Yusuf, Yusril, Huh, Jong-Hoon, Cladis, P E, Brand, Helmut R, Finkelmann, Heino, Kai, Shoichi

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Theoretical 57 Fe Mössbauer Spectroscopy for Structure Elucidation of [Fe] Hydrogenase Active Site Intermediates von Gubler, Joël, Finkelmann, Arndt R., Reiher, Markus

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Mechanical properties of mono-domain side chain nematic elastomers von Martinoty, P, Stein, P, Finkelmann, H, Pleiner, H, Brand, H R

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Electric-field effects on the [FeFe]-hydrogenase active siteElectronic supplementary information (ESI) available: Computational details, additional tables and structures. See DOI:... von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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Oxygen Coordination to the Active Site of Hmd in Relation to [FeFe] Hydrogenase von Stiebritz, Martin T., Finkelmann, Arndt R., Reiher, Markus

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47th symposium on theoretical chemistry 2011 (STC 2011) designing molecular functionality: challenges for theoretical approaches von Haag, Moritz P, Finkelmann, Arndt R

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Inaccessibility of the μ-hydride species in [FeFe] hydrogenasesElectronic supplementary information (ESI) available: Computational details; cartesian coordinates. See DOI: 10.1039/... von Finkelmann, Arndt R, Stiebritz, Martin T, Reiher, Markus

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Smectic A liquid single crystal elastomers showing macroscopic in-plane fluidity von Nishikawa, Etsushi, Finkelmann, Heino, Brand, Helmut R.

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Competition between Liquid Crystalline Phase Symmetry and Microphase Morphology in a Chiral Smectic Liquid Crystalline−Isotropic Block Copolymer von Schneider, Armin, Zanna, Jean-Jacques, Yamada, Masayuki, Finkelmann, Heino, Thomann, Ralf

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Mechanical properties of monodomain side chain nematic elastomers von MARTINOTY, P, STEIN, P, FINKELMANN, H, PLEINER, H, BRAND, H. R

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