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Journal of Chemical Information and Modeling
|
February 10, 2026
Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints
Justin Lübbers, Malte Schokolowski, Uta Lessel, et al.
Journal of Chemical Information and Modeling
|
April 28, 2015
Letter from the editors
Kenneth M Merz, Matthias Rarey, Alexander Tropsha, et al.
Journal of Chemical Information and Modeling
|
October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Agnes Meyder, Eva Nittinger, Gudrun Lange, et al.
Journal of Computer-Aided Molecular Design
|
August 28, 2016
mRAISE: an alternative algorithmic approach to ligand-based virtual screening
Mathias M von Behren, Stefan Bietz, Eva Nittinger, et al.
Current Opinion in Structural Biology
|
April 5, 2023
Navigating large chemical spaces in early-phase drug discovery
Malte Korn, Christiane Ehrt, Fiorella Ruggiu, 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 Computer-Aided Molecular Design
|
December 28, 2012
A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function
Nadine Schneider, Gudrun Lange, Sally Hindle, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies
Andreas Kämper, Joannis Apostolakis, Matthias Rarey, et al.
Journal of Computer-Aided Molecular Design
|
September 17, 2011
De novo design by pharmacophore-based searches in fragment spaces
Tobias Lippert, Tanja Schulz-Gasch, Olivier Roche, et al.
Journal of Chemical Information and Modeling
|
April 14, 2022
Exploration of Ultralarge Compound Collections for Drug Discovery
Wendy A Warr, Marc C Nicklaus, Christos A Nicolaou, et al.
Page
of 16
Search research articles
Search
Showing results (91-100 of 155) with videos related to
Sort By:
Page
of 16
Journal of Chemical Information and Modeling
|
February 10, 2026
Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints
Justin Lübbers, Malte Schokolowski, Uta Lessel, et al.
Journal of Chemical Information and Modeling
|
April 28, 2015
Letter from the editors
Kenneth M Merz, Matthias Rarey, Alexander Tropsha, et al.
Journal of Chemical Information and Modeling
|
October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Agnes Meyder, Eva Nittinger, Gudrun Lange, et al.
Journal of Computer-Aided Molecular Design
|
August 28, 2016
mRAISE: an alternative algorithmic approach to ligand-based virtual screening
Mathias M von Behren, Stefan Bietz, Eva Nittinger, et al.
Current Opinion in Structural Biology
|
April 5, 2023
Navigating large chemical spaces in early-phase drug discovery
Malte Korn, Christiane Ehrt, Fiorella Ruggiu, 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 Computer-Aided Molecular Design
|
December 28, 2012
A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function
Nadine Schneider, Gudrun Lange, Sally Hindle, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies
Andreas Kämper, Joannis Apostolakis, Matthias Rarey, et al.
Journal of Computer-Aided Molecular Design
|
September 17, 2011
De novo design by pharmacophore-based searches in fragment spaces
Tobias Lippert, Tanja Schulz-Gasch, Olivier Roche, et al.
Journal of Chemical Information and Modeling
|
April 14, 2022
Exploration of Ultralarge Compound Collections for Drug Discovery
Wendy A Warr, Marc C Nicklaus, Christos A Nicolaou, et al.
Page
of 16