List of works - Mary Jo Ondrechen

A Tale of Two Isomerases: Compact versus Extended Active Sites in Ketosteroid Isomerase and Phosphoglucose Isomerase ⬇️

scientific article published on October 4, 2011

Active site prediction for comparative model structures with thematics

scientific article

Biochemical functional predictions for protein structures of unknown or uncertain function

scientific article

Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity

scientific article

Design and evaluation of xanthine based adenosine receptor antagonists: potential hypoxia targeted immunotherapies

scientific article published on 28 September 2013

Effects of non-catalytic, distal amino acid residues on activity of E. coli DinB (DNA polymerase IV).

scientific article

Functional classification of protein 3D structures from predicted local interaction sites ⬇️

scientific article published on December 1, 2010

Future directions in protein function prediction.

scientific article published on December 2002

High-performance prediction of functional residues in proteins with machine learning and computed input features.

scientific article

Homology Modeling Inspired Synthesis of 5-HT2A Receptor Inhibitors: A Diazepine Analogue of the Atypical Antipsychotic JL13.

scientific article

Identification of functional subclasses in the DJ-1 superfamily proteins

scientific article

Identification of residues in DmsD for twin-arginine leader peptide binding, defined through random and bioinformatics-directed mutagenesis.

scientific article

Local structure based method for prediction of the biochemical function of proteins: Applications to glycoside hydrolases.

scientific article

POOL server: machine learning application for functional site prediction in proteins.

scientific article published on June 2012

Partial order optimum likelihood (POOL): maximum likelihood prediction of protein active site residues using 3D Structure and sequence properties

scientific article

Pharmacological validation of Trypanosoma brucei phosphodiesterases B1 and B2 as druggable targets for African sleeping sickness

scientific article published on 8 November 2011

Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity

scientific article published on 17 January 2018

Prediction of active sites for protein structures from computed chemical properties.

scientific article published in June 2005

Prediction of distal residue participation in enzyme catalysis

scientific article published on 2 April 2015

Probing remote residues important for catalysis in Escherichia coli ornithine transcarbamoylase

scientific article published on 06 February 2020

Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs)

scientific article

Selective prediction of interaction sites in protein structures with THEMATICS.

scientific article

Synthesis and evaluation of 2-halogenated-1,1-bis(4-hydroxyphenyl)-2-(3-hydroxyphenyl)-ethylenes as potential estrogen receptor-targeted radiodiagnostic and radiotherapeutic agents.

scientific article

The human Aurora kinase inhibitor danusertib is a lead compound for anti-trypanosomal drug discovery via target repurposing.

scientific article

List of works by Mary Jo Ondrechen

A Tale of Two Isomerases: Compact versus Extended Active Sites in Ketosteroid Isomerase and Phosphoglucose Isomerase ⬇️

Active site prediction for comparative model structures with thematics

Biochemical functional predictions for protein structures of unknown or uncertain function

Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity

Design and evaluation of xanthine based adenosine receptor antagonists: potential hypoxia targeted immunotherapies

Effects of non-catalytic, distal amino acid residues on activity of E. coli DinB (DNA polymerase IV).

Functional classification of protein 3D structures from predicted local interaction sites ⬇️

Future directions in protein function prediction.

High-performance prediction of functional residues in proteins with machine learning and computed input features.

Homology Modeling Inspired Synthesis of 5-HT2A Receptor Inhibitors: A Diazepine Analogue of the Atypical Antipsychotic JL13.

Identification of functional subclasses in the DJ-1 superfamily proteins

Identification of residues in DmsD for twin-arginine leader peptide binding, defined through random and bioinformatics-directed mutagenesis.

Local structure based method for prediction of the biochemical function of proteins: Applications to glycoside hydrolases.

POOL server: machine learning application for functional site prediction in proteins.

Partial order optimum likelihood (POOL): maximum likelihood prediction of protein active site residues using 3D Structure and sequence properties

Pharmacological validation of Trypanosoma brucei phosphodiesterases B1 and B2 as druggable targets for African sleeping sickness

Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity

Prediction of active sites for protein structures from computed chemical properties.

Prediction of distal residue participation in enzyme catalysis

Probing remote residues important for catalysis in Escherichia coli ornithine transcarbamoylase

Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs)

Selective prediction of interaction sites in protein structures with THEMATICS.

Synthesis and evaluation of 2-halogenated-1,1-bis(4-hydroxyphenyl)-2-(3-hydroxyphenyl)-ethylenes as potential estrogen receptor-targeted radiodiagnostic and radiotherapeutic agents.

The human Aurora kinase inhibitor danusertib is a lead compound for anti-trypanosomal drug discovery via target repurposing.