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Journal of Chemical Information and Modeling
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July 12, 2012
Unique ring families: a chemically meaningful description of molecular ring topologies
Adrian Kolodzik, Sascha Urbaczek, Matthias Rarey
Journal of Chemical Information and Modeling
|
February 19, 2014
The valence state combination model: a generic framework for handling tautomers and protonation states
Sascha Urbaczek, Adrian Kolodzik, Matthias Rarey
The Journal of Chemical Physics
|
July 16, 2008
Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Kr: a four-component relativistic treatment
Markus Pernpointner, Nikolai V Kryzhevoi, Sascha Urbaczek
Journal of Cheminformatics
|
April 4, 2014
Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes
Stefan Bietz, Sascha Urbaczek, Benjamin Schulz, et al.
Journal of Computer-Aided Molecular Design
|
July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screening
Angela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling
|
November 27, 2012
Reading PDB: perception of molecules from 3D atomic coordinates
Sascha Urbaczek, Adrian Kolodzik, Inken Groth, et al.
Journal of Cheminformatics
|
August 30, 2013
MONA - Interactive manipulation of molecule collections
Matthias Hilbig, Sascha Urbaczek, Inken Groth, et al.
Journal of Chemical Information and Modeling
|
May 24, 2014
Facing the challenges of structure-based target prediction by inverse virtual screening
Karen T Schomburg, Stefan Bietz, Hans Briem, et al.
Journal of Chemical Information and Modeling
|
February 9, 2013
Fast protein binding site comparison via an index-based screening technology
Mathias M von Behren, Andrea Volkamer, Angela M Henzler, et al.
Journal of Chemical Information and Modeling
|
November 10, 2011
NAOMI: on the almost trivial task of reading molecules from different file formats
Sascha Urbaczek, Adrian Kolodzik, J Robert Fischer, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
July 12, 2012
Unique ring families: a chemically meaningful description of molecular ring topologies
Adrian Kolodzik, Sascha Urbaczek, Matthias Rarey
Journal of Chemical Information and Modeling
|
February 19, 2014
The valence state combination model: a generic framework for handling tautomers and protonation states
Sascha Urbaczek, Adrian Kolodzik, Matthias Rarey
The Journal of Chemical Physics
|
July 16, 2008
Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Kr: a four-component relativistic treatment
Markus Pernpointner, Nikolai V Kryzhevoi, Sascha Urbaczek
Journal of Cheminformatics
|
April 4, 2014
Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes
Stefan Bietz, Sascha Urbaczek, Benjamin Schulz, et al.
Journal of Computer-Aided Molecular Design
|
July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screening
Angela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling
|
November 27, 2012
Reading PDB: perception of molecules from 3D atomic coordinates
Sascha Urbaczek, Adrian Kolodzik, Inken Groth, et al.
Journal of Cheminformatics
|
August 30, 2013
MONA - Interactive manipulation of molecule collections
Matthias Hilbig, Sascha Urbaczek, Inken Groth, et al.
Journal of Chemical Information and Modeling
|
May 24, 2014
Facing the challenges of structure-based target prediction by inverse virtual screening
Karen T Schomburg, Stefan Bietz, Hans Briem, et al.
Journal of Chemical Information and Modeling
|
February 9, 2013
Fast protein binding site comparison via an index-based screening technology
Mathias M von Behren, Andrea Volkamer, Angela M Henzler, et al.
Journal of Chemical Information and Modeling
|
November 10, 2011
NAOMI: on the almost trivial task of reading molecules from different file formats
Sascha Urbaczek, Adrian Kolodzik, J Robert Fischer, et al.
Page
of 1