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Molecular Informatics
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August 6, 2016
Guided Iterative Substructure Search (GI-SSS) - A New Trick for an Old Dog
Nils Weskamp
Proteins
|
January 29, 2009
Merging chemical and biological space: Structural mapping of enzyme binding pocket space
Nils Weskamp, Eyke Hüllermeier, Gerhard Klebe
Journal of Chemical Information and Modeling
|
January 12, 2022
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs
José Jiménez-Luna, Miha Skalic, Nils Weskamp
Bioinformatics (Oxford, England)
|
July 3, 2004
Efficient similarity search in protein structure databases by k-clique hashing
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, et al.
Bioinformatics (Oxford, England)
|
October 30, 2004
Clustering of gene expression data using a local shape-based similarity measure
Rajarajeswari Balasubramaniyan, Eyke Hüllermeier, Nils Weskamp, et al.
Chemmedchem
|
August 19, 2007
Functional classification of protein kinase binding sites using Cavbase
Daniel Kuhn, Nils Weskamp, Eyke Hüllermeier, et al.
Proteins
|
March 30, 2007
Strategies to search and design stabilizers of protein-protein interactions: a feasibility study
Peter Block, Nils Weskamp, Alexander Wolf, et al.
IEEE/ACM Transactions on Computational Biology and Bioinformatics
|
May 3, 2007
Multiple graph alignment for the structural analysis of protein active sites
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, et al.
Journal of Medicinal Chemistry
|
April 29, 2009
Exploration of structure-activity relationship determinants in analogue series
Lisa Peltason, Nils Weskamp, Andreas Teckentrup, et al.
Journal of Chemical Information and Modeling
|
February 25, 2021
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment
José Jiménez-Luna, Miha Skalic, Nils Weskamp, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Molecular Informatics
|
August 6, 2016
Guided Iterative Substructure Search (GI-SSS) - A New Trick for an Old Dog
Nils Weskamp
Proteins
|
January 29, 2009
Merging chemical and biological space: Structural mapping of enzyme binding pocket space
Nils Weskamp, Eyke Hüllermeier, Gerhard Klebe
Journal of Chemical Information and Modeling
|
January 12, 2022
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs
José Jiménez-Luna, Miha Skalic, Nils Weskamp
Bioinformatics (Oxford, England)
|
July 3, 2004
Efficient similarity search in protein structure databases by k-clique hashing
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, et al.
Bioinformatics (Oxford, England)
|
October 30, 2004
Clustering of gene expression data using a local shape-based similarity measure
Rajarajeswari Balasubramaniyan, Eyke Hüllermeier, Nils Weskamp, et al.
Chemmedchem
|
August 19, 2007
Functional classification of protein kinase binding sites using Cavbase
Daniel Kuhn, Nils Weskamp, Eyke Hüllermeier, et al.
Proteins
|
March 30, 2007
Strategies to search and design stabilizers of protein-protein interactions: a feasibility study
Peter Block, Nils Weskamp, Alexander Wolf, et al.
IEEE/ACM Transactions on Computational Biology and Bioinformatics
|
May 3, 2007
Multiple graph alignment for the structural analysis of protein active sites
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, et al.
Journal of Medicinal Chemistry
|
April 29, 2009
Exploration of structure-activity relationship determinants in analogue series
Lisa Peltason, Nils Weskamp, Andreas Teckentrup, et al.
Journal of Chemical Information and Modeling
|
February 25, 2021
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment
José Jiménez-Luna, Miha Skalic, Nils Weskamp, et al.
Page
of 2