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List of works by Britta Nisius

Alignment-Independent Comparison of Binding Sites Based on DrugScore Potential Fields Encoded by 3D Zernike Descriptors ⬇️

scientific article published on August 22, 2012

Combining cluster analysis, feature selection and multiple support vector machine models for the identification of human ether-a-go-go related gene channel blocking compounds

scientific article published in January 2009

Development of a fingerprint reduction approach for Bayesian similarity searching based on Kullback-Leibler divergence analysis

scientific article published in June 2009

Fragment shuffling: an automated workflow for three-dimensional fragment-based ligand design

scientific article published in May 2009

Identification of descriptors capturing compound class-specific features by mutual information analysis

scientific article published on 20 October 2010

Information Entropic Functions for Molecular Descriptor Profiling ⬇️

scientific article published on January 1, 2012

Mapping of pharmacological space ⬇️

scientific article published on November 24, 2010

Novel binding pocket descriptors based on DrugScore potential fields encoded by 3D Zernike descriptors.

scientific article

Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications ⬇️

scientific article published on 07 October 2010

Rationalizing the Role of SAR Tolerance for Ligand-Based Virtual Screening ⬇️

scientific article published on March 25, 2011

Reduction and recombination of fingerprints of different design increase compound recall and the structural diversity of hits

scientific article published on 18 December 2009

Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects

scientific article published in June 2010

Similarity-based classifier using topomers to provide a knowledge base for hERG channel inhibition

scientific article

State-of-the-art in ligand-based virtual screening ⬇️

scientific article published on February 22, 2011

Structure-based computational analysis of protein binding sites for function and druggability prediction ⬇️

scientific article published on December 14, 2011

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