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Chemmedchem
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September 17, 2008
On the art of compiling and using 'drug-like' chemical fragment spaces
Jörg Degen, Christof Wegscheid-Gerlach, Andrea Zaliani, et al.
Journal of Chemical Information and Modeling
|
August 28, 2010
From structure diagrams to visual chemical patterns
Karen Schomburg, Hans-Christian Ehrlich, Katrin Stierand, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, Kai Sommer, 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
|
January 28, 2017
Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces
Therese Inhester, Stefan Bietz, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling
|
June 9, 2025
SmartChemist─Simplifying Communication About Organic Chemical Structures
Torben Gutermuth, Patrick Penner, Jochen Sieg, et al.
Journal of Chemical Information and Modeling
|
December 14, 2011
Combining global and local measures for structure-based druggability predictions
Andrea Volkamer, Daniel Kuhn, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling
|
January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence
Tobias Harren, Hans Matter, Gerhard Hessler, et al.
Chemmedchem
|
April 4, 2008
Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function
Ingo Reulecke, Gudrun Lange, Jürgen Albrecht, et al.
Journal of Chemical Information and Modeling
|
May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
Emanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Page
of 16
Search research articles
Search
Showing results (81-90 of 155) with videos related to
Sort By:
Page
of 16
Chemmedchem
|
September 17, 2008
On the art of compiling and using 'drug-like' chemical fragment spaces
Jörg Degen, Christof Wegscheid-Gerlach, Andrea Zaliani, et al.
Journal of Chemical Information and Modeling
|
August 28, 2010
From structure diagrams to visual chemical patterns
Karen Schomburg, Hans-Christian Ehrlich, Katrin Stierand, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, Kai Sommer, 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
|
January 28, 2017
Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces
Therese Inhester, Stefan Bietz, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling
|
June 9, 2025
SmartChemist─Simplifying Communication About Organic Chemical Structures
Torben Gutermuth, Patrick Penner, Jochen Sieg, et al.
Journal of Chemical Information and Modeling
|
December 14, 2011
Combining global and local measures for structure-based druggability predictions
Andrea Volkamer, Daniel Kuhn, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling
|
January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence
Tobias Harren, Hans Matter, Gerhard Hessler, et al.
Chemmedchem
|
April 4, 2008
Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function
Ingo Reulecke, Gudrun Lange, Jürgen Albrecht, et al.
Journal of Chemical Information and Modeling
|
May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
Emanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Page
of 16