List of works - Jeremy L. Jenkins

"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?

scientific article published in November 2006

"Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection.

scientific article published in April 2007

"Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits

scientific article

A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes

scientific article published in December 2004

A lead discovery strategy driven by a comprehensive analysis of proteases in the peptide substrate space

scientific article

A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity.

scientific article

Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships

scientific article

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

scientific article (publication date: June 2007)

Author Correction: CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma

scientific article published on 01 April 2020

Benchmarking network algorithms for contextualizing genes of interest

scientific article published on 20 December 2019

Binding of Bacillus thuringiensis Cry1Ac toxin to Manduca sexta aminopeptidase-N receptor is not directly related to toxicity

scientific article published on December 1999

Bivalent sequential binding model of a Bacillus thuringiensis toxin to gypsy moth aminopeptidase N receptor

scientific article published on May 2000

Blocking binding of Bacillus thuringiensis Cry1Aa to Bombyx mori cadherin receptor results in only a minor reduction of toxicity

scientific article

Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors

scientific article

CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma

scientific article published on 09 December 2019

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint

scientific article

Computational methods for early predictive safety assessment from biological and chemical data

scientific article

DRUG-seq for miniaturized high-throughput transcriptome profiling in drug discovery

scientific article published in Nature Communications

Determination of minimal transcriptional signatures of compounds for target prediction

scientific article published on 10 May 2012

Discovery of a ZIP7 inhibitor from a Notch pathway screen

scientific article published on 14 January 2019

Drug discovery: Rethinking cellular drug response

scientific article

Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers

scientific article

Flexible 3D pharmacophores as descriptors of dynamic biological space.

scientific article published in March 2007

From in silico target prediction to multi-target drug design: current databases, methods and applications

scientific article

How similar are similarity searching methods? A principal component analysis of molecular descriptor space

scientific article published in January 2009

Identification of small-molecule inhibitors of human angiogenin and characterization of their binding interactions guided by computational docking

scientific article published on 01 June 2003

Inhibition of mammalian ribonucleases by endogenous adenosine dinucleotides.

scientific article published in January 2003

Integrating high-content screening and ligand-target prediction to identify mechanism of action

scientific article

Isolation and partial characterization of gypsy moth BTR-270, an anionic brush border membrane glycoconjugate that binds Bacillus thuringiensis Cry1A toxins with high affinity

scientific article published on April 2001

Large-Scale QSAR in Target Prediction and Phenotypic HTS Assessment

scientific article published on 12 July 2012

Learning epistatic gene interactions from perturbation screens

scientific article published on 13 July 2021

Learning epistatic gene interactions from perturbation screens

Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics

scientific article published in December 2008

Mapping adverse drug reactions in chemical space.

scientific article

Modeling promiscuity based on in vitro safety pharmacology profiling data

scientific article

Mutations at the arginine residues in alpha8 loop of Bacillus thuringiensis delta-endotoxin Cry1Ac affect toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N.

scientific article published on May 2001

Phenotypic landscape of intestinal organoid regeneration

scientific article published on 07 October 2020

Plasma lipases and lipid transfer proteins increase phospholipid but not free cholesterol transfer from lipid emulsion to high density lipoproteins

scientific article

Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity

scientific article published on 16 June 2009

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

scientific article published in May 2006

Recent trends and observations in the design of high-quality screening collections

scientific article

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

scientific article published on 31 May 2012

Role of two arginine residues in domain II, loop 2 of Cry1Ab and Cry1Ac Bacillus thuringiensis delta-endotoxin in toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N.

scientific article published on October 2000

Streamlining lead discovery by aligning in silico and high-throughput screening

scientific article

Target identification for a Hedgehog pathway inhibitor reveals the receptor GPR39.

scientific article

Ten simple rules to power drug discovery with data science

scientific article published on 27 August 2020

The multidimensional perturbation value: a single metric to measure similarity and activity of treatments in high-throughput multidimensional screens

scientific article

Unexpected binding mode for 2'-phosphoadenosine-based nucleotide inhibitors in complex with human angiogenin revealed by heteronuclear NMR spectroscopy

scientific article published in September 2003

Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data

scientific article

Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin.

scientific article

List of works by Jeremy L. Jenkins

"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?

"Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection.

"Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits

A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes

A lead discovery strategy driven by a comprehensive analysis of proteases in the peptide substrate space

A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity.

Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

Author Correction: CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma

Benchmarking network algorithms for contextualizing genes of interest

Binding of Bacillus thuringiensis Cry1Ac toxin to Manduca sexta aminopeptidase-N receptor is not directly related to toxicity

Bivalent sequential binding model of a Bacillus thuringiensis toxin to gypsy moth aminopeptidase N receptor

Blocking binding of Bacillus thuringiensis Cry1Aa to Bombyx mori cadherin receptor results in only a minor reduction of toxicity

Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors

CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint

Computational methods for early predictive safety assessment from biological and chemical data

DRUG-seq for miniaturized high-throughput transcriptome profiling in drug discovery

Determination of minimal transcriptional signatures of compounds for target prediction

Discovery of a ZIP7 inhibitor from a Notch pathway screen

Drug discovery: Rethinking cellular drug response

Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers

Flexible 3D pharmacophores as descriptors of dynamic biological space.

From in silico target prediction to multi-target drug design: current databases, methods and applications

How similar are similarity searching methods? A principal component analysis of molecular descriptor space

Identification of small-molecule inhibitors of human angiogenin and characterization of their binding interactions guided by computational docking

Inhibition of mammalian ribonucleases by endogenous adenosine dinucleotides.

Integrating high-content screening and ligand-target prediction to identify mechanism of action

Isolation and partial characterization of gypsy moth BTR-270, an anionic brush border membrane glycoconjugate that binds Bacillus thuringiensis Cry1A toxins with high affinity

Large-Scale QSAR in Target Prediction and Phenotypic HTS Assessment

Learning epistatic gene interactions from perturbation screens

Learning epistatic gene interactions from perturbation screens

Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics

Mapping adverse drug reactions in chemical space.

Modeling promiscuity based on in vitro safety pharmacology profiling data

Mutations at the arginine residues in alpha8 loop of Bacillus thuringiensis delta-endotoxin Cry1Ac affect toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N.

Phenotypic landscape of intestinal organoid regeneration

Plasma lipases and lipid transfer proteins increase phospholipid but not free cholesterol transfer from lipid emulsion to high density lipoproteins

Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

Recent trends and observations in the design of high-quality screening collections

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

Role of two arginine residues in domain II, loop 2 of Cry1Ab and Cry1Ac Bacillus thuringiensis delta-endotoxin in toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N.

Streamlining lead discovery by aligning in silico and high-throughput screening

Target identification for a Hedgehog pathway inhibitor reveals the receptor GPR39.

Ten simple rules to power drug discovery with data science

The multidimensional perturbation value: a single metric to measure similarity and activity of treatments in high-throughput multidimensional screens

Unexpected binding mode for 2'-phosphoadenosine-based nucleotide inhibitors in complex with human angiogenin revealed by heteronuclear NMR spectroscopy

Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data

Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin.