Towards an atomistic understanding of apatite–collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings von Zahn, Dirk, Hochrein, Oliver, Kawska, Agnieszka, Brickmann, Jürgen, Kniep, Rüdiger

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Hybrid integral equation/simulation model for enhancing free energy computations von SCHILLING, Bernd, BRICKMANN, Jurgen, KAST, Stefan M

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Binary Phases of Aliphatic N-Oxides and Water:  Force Field Development and Molecular Dynamics Simulation von Kast, Kristine M, Brickmann, Jürgen, Kast, Stefan M, Berry, R. Stephen

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Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory von Exner, Thomas E., Keil, Matthias, Brickmann, Jürgen

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Texture mapping: A new tool for molecular graphics von Teschner, Michael, Henn, Christian, Vollhardt, Horst, Reiling, Stefan, Brickmann, Jürgen

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Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins von Kawska, Agnieszka, Hochrein, Oliver, Brickmann, Jürgen, Kniep, Rüdiger, Zahn, Dirk

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Diffusion of Aromatic Molecules in Zeolite NaY. 1. Constrained Reaction Coordinate Dynamics von Mosell, Thomas, Schrimpf, Gerhard, Brickmann, Jürgen

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Pattern recognition strategies for molecular surfaces. II. Surface complementarity von Exner, Thomas E., Keil, Matthias, Brickmann, Jürgen

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Molecular visualization in the rational drug design process von Keil, Matthias, Marhofer, Richard J, Rohwer, Andreas, Selzer, Paul M, Brickmann, Jurgen, Korb, Oliver, Exner, Thomas E

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Diffusion of Aromatic Molecules in Zeolite NaY. 2. Dynamical Corrections von Mosell, Thomas, Schrimpf, Gerhard, Brickmann, Jürgen

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Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator von Kast, Stefan Michael, Brickmann, Jürgen

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Simulating .THETA.-conditions in polymers by modifying the long-range interactions: a Monte Carlo approach to polymethylene von Sariban, Alla, Brickmann, Juergen, Van Ruiten, Jippe, Meier, Robert J

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Hierarchical pattern of microfibrils in a 3D fluorapatite-gelatine nanocomposite : simulation of a bio-related structure building process von PAPARCONE, Raffaella, KNIEP, Riidiger, BRICKMANN, Jiirgen

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An atomistic simulation scheme for modeling crystal formation from solution von Kawska, Agnieszka, Brickmann, Jürgen, Kniep, Rüdiger, Hochrein, Oliver, Zahn, Dirk

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Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients von Zerara, Mohamed, Brickmann, Jürgen, Kretschmer, Robert, Exner, Thomas E.

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Constant temperature molecular dynamics simulations by means of a stochastic collision model. I. Noninteracting particles von Kast, Stefan Michael, Nicklas, Kai, Bär, Hans-Jürgen, Brickmann, Jürgen

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Potential energy function for apatites von HAUPTMANN, Sven, DUFNER, Hagen, BRICKMANN, Jürgen, KAST, Stefan M, BERRY, R. Stephen

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Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity von Brickmann, Jürgen, Paparcone, Raffaella, Kokolakis, Simon, Zahn, Dirk, Duchstein, Patrick, Carrillo-Cabrera, Wilder, Simon, Paul, Kniep, Rüdiger

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Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network von Keil, Matthias, Exner, Thomas E., Brickmann, Jürgen

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Segmentation of protein surfaces using fuzzy logic von Heiden, Wolfgang, Brickmann, Jürgen

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