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Journal of Chemical Information and Modeling
|
May 9, 2022
Special Issue on Reaction Informatics and Chemical Space
Matthias Rarey, Marc C Nicklaus, Wendy Warr
Drug Discovery Today
|
February 6, 2004
Novel technologies for virtual screening
Thomas Lengauer, Christian Lemmen, Matthias Rarey, et al.
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 Chemical Information and Modeling
|
October 16, 2010
Analyzing the topology of active sites: on the prediction of pockets and subpockets
Andrea Volkamer, Axel Griewel, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling
|
October 1, 2009
Conformational sampling for large-scale virtual screening: accuracy versus ensemble size
Axel Griewel, Ole Kayser, Jochen Schlosser, et al.
Bioinformatics (Oxford, England)
|
May 26, 2012
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.
Proteins
|
November 15, 2012
Predicting enzymatic function from global binding site descriptors
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.
Journal of Chemical Information and Modeling
|
December 18, 2023
Redocking the PDB
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2023
PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams
Konrad Diedrich, Bennet Krause, Ole Berg, et al.
Journal of Chemical Information and Modeling
|
June 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data
Rainer Fährrolfes, Jochen Sieg, Florian Flachsenberg, et al.
Page
of 16
Search research articles
Search
Showing results (51-60 of 155) with videos related to
Sort By:
Page
of 16
Journal of Chemical Information and Modeling
|
May 9, 2022
Special Issue on Reaction Informatics and Chemical Space
Matthias Rarey, Marc C Nicklaus, Wendy Warr
Drug Discovery Today
|
February 6, 2004
Novel technologies for virtual screening
Thomas Lengauer, Christian Lemmen, Matthias Rarey, et al.
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 Chemical Information and Modeling
|
October 16, 2010
Analyzing the topology of active sites: on the prediction of pockets and subpockets
Andrea Volkamer, Axel Griewel, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling
|
October 1, 2009
Conformational sampling for large-scale virtual screening: accuracy versus ensemble size
Axel Griewel, Ole Kayser, Jochen Schlosser, et al.
Bioinformatics (Oxford, England)
|
May 26, 2012
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.
Proteins
|
November 15, 2012
Predicting enzymatic function from global binding site descriptors
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.
Journal of Chemical Information and Modeling
|
December 18, 2023
Redocking the PDB
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2023
PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams
Konrad Diedrich, Bennet Krause, Ole Berg, et al.
Journal of Chemical Information and Modeling
|
June 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data
Rainer Fährrolfes, Jochen Sieg, Florian Flachsenberg, et al.
Page
of 16