Ion permeation simulations by Gromacs-an example of high performance molecular dynamics von Krüger, J., Fels, G.

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Atomistic details of the phosphodiester cleavage of ribonuclease H von Elsässer, B, Fels, G

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Transformation of 2,4,6-trinitrotoluene (TNT) by Raoultella terrigena von Claus, H, Bausinger, T, Lehmler, I, Perret, N, Fels, G, Dehner, U, Preuß, J, König, H

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MoSGrid – a molecular simulation grid as a new tool in computational chemistry, biology and material science von Birkenheuer, G, Blunk, D, Breuers, S, Brinkmann, A, dos Santos Vieira, I, Fels, G, Gesing, S, Grunzke, R, Herres-Pawlis, S, Kohlbacher, O, Kruber, N, Krüger, J, Lang, U, Packschies, L, Müller-Pfefferkorn, R, Schäfer, P, Schmalz, H-G, Steinke, T, Warzecha, K-D, Wewior, M

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A New Stereoselective Approach Towards the Galanthamine Ring System via an Intramolecular Heck Reaction von Pilger, Christian, Westermann, Bernhard, Flörke, Ulrich, Fels, Gregor

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All-atom molecular dynamics studies of the full-length β-amyloid peptides von Luttmann, Edgar, Fels, Gregor

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Three-dimensional structure of a complex of galanthamine (Nivalin®) with acetylcholinesterase from Torpedo californica: Implications for the design of new anti-Alzheimer drugs von Bartolucci, Cecilia, Perola, Emanuele, Pilger, Christian, Fels, Gregor, Lamba, Doriano

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Ion permeation through neuronal nAChR ion channel von Krüger, Jens, Fels, G

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Iridium-Catalyzed H/D Exchange von Krüger, Jens, Manmontri, Boripont, Fels, Gregor

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Isolated Hypersurface Singularities and Special Polynomial Realizations of Affine Quadrics von Fels, G., Isaev, A., Kaup, W., Kruzhilin, N.

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Ocular toxoplasmosis: patient age and other risk factors for a severe course of disease von PLEYER, U, MäNZ, M, FELS, G, METZNER, S, HAZIROLAN, D, JOHNSEN, J

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Modeling of inclusion complexes of amylose and synthetical polymers von Tusch, M, Fels, G

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A monoclonal antibody interfering with binding and response of the acetylcholine receptor von Fels, G, Plümer-Wilk, R, Schreiber, M, Maelicke, A

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Investigation on the reaction mechanism of ribonuclease enzymes von Elsässer, B, Valiev, M, Weare, J, Fels, G

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Molecular docking study on the "back door" hypothesis for product clearance in acetylcholinesterase von Alisaraie, Laleh, Fels, Gregor

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Time resolved structure analysis of growing β-amyloid fibers von Witte, Thomas, Haller, Lars A., Luttmann, Edgar, Krüger, Jens, Fels, Gregor, Huber, Klaus

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Characterization of cycle domains via kobayashi hyperbolicity von FELS, Gregor, HUCKLEBERRY, Alan

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Accurate prediction of the bound conformation of galanthamine in the active site of torpedo californica acetylcholinesterase using molecular docking von Pilger, Christian, Bartolucci, Cecilia, Lamba, Doriano, Tropsha, Alexander, Fels, Gregor

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Molecular modeling studies of lipase-catalyzed β-lactam polymerization von Baum, I, Haller, LA, Schwab, LW, Loos, K, Fels, G

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Biological reduction of TNT as part of a combined biological-chemical procedure for mineralization von KRÖGER, Mario, SCHUMACHER, Martina E, RISSE, Heike, FELS, Gregor

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