List of works - Adrian Turjanski

1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov.

scientific article

A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies.

scientific article published on 17 June 2015

A novel missense mutation in the HSD3B2 gene, underlying nonsalt-wasting congenital adrenal hyperplasia. new insight into the structure-function relationships of 3β-hydroxysteroid dehidrogenase type II

scientific article published on 01 January 2015

A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis.

scientific article published on 18 December 2015

An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets

scientific article published on 26 May 2015

An integrative in-silico approach for therapeutic target identification in the human pathogen Corynebacterium diphtheriae

scientific article published on 19 October 2017

Aromatic clusters in protein-protein and protein-drug complexes

scientific article published on 08 May 2020

Aromatic-aromatic interactions in proteins: beyond the dimer

scientific article published on 27 June 2011

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions

scientific article published on 01 October 2019

Binding-induced folding of a natively unstructured transcription factor.

scientific article

Characterization and comparative analysis of the genome of Puccinia sorghi Schwein, the causal agent of maize common rust.

scientific article

Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics

scientific article published on 15 March 2006

Consent insufficient for data release-Response

scientific article published on 01 May 2019

Draft Genome Sequence of the Polyextremophilic Halorubrum sp. Strain AJ67, Isolated from Hyperarsenic Lakes in the Argentinian Puna.

scientific article published on 6 February 2014

Draft genome sequence of Bizionia argentinensis, isolated from Antarctic surface water.

scientific article

Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors

scientific article

Exposing the secrets of two well-known Lactobacillus casei phages, J-1 and PL-1, by genomic and structural analysis

scientific article

First Whole-Genome Shotgun Sequence of a Promising Cellulase Secretor, Trichoderma koningiopsis Strain POS7.

scientific article published on 14 September 2017

Functional analysis of a mosquito short-chain dehydrogenase cluster ⬇️

scientific article published on December 13, 2012

Genome sequence of Sphingomonas sp. S17, isolated from an alkaline, hyperarsenic, and hypersaline volcano-associated lake at high altitude in the Argentinean Puna.

scientific article published on 20 May 2011

How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study.

scientific article published on May 2009

Investigation of the catalytic mechanism of farnesyl pyrophosphate synthase by computer simulation

scientific article published on 01 September 2006

Juvenile hormone synthesis: "esterify then epoxidize" or "epoxidize then esterify"? Insights from the structural characterization of juvenile hormone acid methyltransferase.

scientific article

Kinase Activation by Small Conformational Changes

scientific article published on 27 November 2019

LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.

scientific article published on 12 July 2017

MAPK's networks and their capacity for multistationarity due to toric steady states

scientific article published on 30 January 2015

Mechanisms of NO release by N1-nitrosomelatonin: nucleophilic attack versus reducing pathways.

scientific article published in July 2005

Molecular Dynamics Simulations Provide Atomistic Insight into Hydrogen Exchange Mass Spectrometry Experiments

scientific article published on 20 November 2012

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

scientific article published on 20 March 2017

Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoes

scientific article

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.

scientific article

Nitrosation of melatonin by nitric oxide: a computational study.

scientific article

Phosphorylation Regulates the Bound Structure of an Intrinsically Disordered Protein: The p53-TAZ2 Case.

scientific article published on 7 January 2016

Phosphorylation or Mutation of the ERK2 Activation Loop Alters Oligonucleotide Binding.

scientific article published on 07 March 2016

Physiological concentrations of melatonin inhibit the nitridergic pathway in the Syrian hamster retina.

scientific article

Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines.

scientific article

Protein frustratometer: a tool to localize energetic frustration in protein molecules.

scientific article

Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

scientific article published on 5 March 2015

Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosis

scientific article published on 27 October 2014

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.

scientific article published on 6 December 2013

Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain

scientific article

Structural and functional characterization of a cold-adapted stand-alone TPM domain reveals a relationship between dynamics and phosphatase activity

scientific article

Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis.

scientific article published on 28 August 2017

Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations.

scientific article published on 27 June 2016

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

scientific article

The Druggable Pocketome of Corynebacterium diphtheriae: A New Approach for in silico Putative Druggable Targets

scientific article published on 13 February 2018

The crystal structure of the MAP kinase LmaMPK10 from Leishmania major reveals parasite-specific features and regulatory mechanisms

scientific article

Thiol redox biochemistry: insights from computer simulations

scientific article

TuberQ: a Mycobacterium tuberculosis protein druggability database

scientific article

Two novel DNA variants associated with glucose-6-phosphate dehydrogenase deficiency found in Argentine pediatric patients

scientific article published on 28 January 2016

Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures

scientific article published on 28 September 2014

WATCLUST: a tool for improving the design of drugs based on protein-water interactions

scientific article published on 20 July 2015

Whole genome sequencing reveals a de novo SHANK3 mutation in familial autism spectrum disorder.

scientific article

p38γ activation triggers dynamical changes in allosteric docking sites

scientific article published on 07 February 2011

List of works by Adrian Turjanski

1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov.

A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies.

A novel missense mutation in the HSD3B2 gene, underlying nonsalt-wasting congenital adrenal hyperplasia. new insight into the structure-function relationships of 3β-hydroxysteroid dehidrogenase type II

A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis.

An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets

An integrative in-silico approach for therapeutic target identification in the human pathogen Corynebacterium diphtheriae

Aromatic clusters in protein-protein and protein-drug complexes

Aromatic-aromatic interactions in proteins: beyond the dimer

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions

Binding-induced folding of a natively unstructured transcription factor.

Characterization and comparative analysis of the genome of Puccinia sorghi Schwein, the causal agent of maize common rust.

Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics

Consent insufficient for data release-Response

Draft Genome Sequence of the Polyextremophilic Halorubrum sp. Strain AJ67, Isolated from Hyperarsenic Lakes in the Argentinian Puna.

Draft genome sequence of Bizionia argentinensis, isolated from Antarctic surface water.

Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors

Exposing the secrets of two well-known Lactobacillus casei phages, J-1 and PL-1, by genomic and structural analysis

First Whole-Genome Shotgun Sequence of a Promising Cellulase Secretor, Trichoderma koningiopsis Strain POS7.

Functional analysis of a mosquito short-chain dehydrogenase cluster ⬇️

Genome sequence of Sphingomonas sp. S17, isolated from an alkaline, hyperarsenic, and hypersaline volcano-associated lake at high altitude in the Argentinean Puna.

How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study.

Investigation of the catalytic mechanism of farnesyl pyrophosphate synthase by computer simulation

Juvenile hormone synthesis: "esterify then epoxidize" or "epoxidize then esterify"? Insights from the structural characterization of juvenile hormone acid methyltransferase.

Kinase Activation by Small Conformational Changes

LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.

MAPK's networks and their capacity for multistationarity due to toric steady states

Mechanisms of NO release by N1-nitrosomelatonin: nucleophilic attack versus reducing pathways.

Molecular Dynamics Simulations Provide Atomistic Insight into Hydrogen Exchange Mass Spectrometry Experiments

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoes

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.

Nitrosation of melatonin by nitric oxide: a computational study.

Phosphorylation Regulates the Bound Structure of an Intrinsically Disordered Protein: The p53-TAZ2 Case.

Phosphorylation or Mutation of the ERK2 Activation Loop Alters Oligonucleotide Binding.

Physiological concentrations of melatonin inhibit the nitridergic pathway in the Syrian hamster retina.

Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines.

Protein frustratometer: a tool to localize energetic frustration in protein molecules.

Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosis

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.

Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain

Structural and functional characterization of a cold-adapted stand-alone TPM domain reveals a relationship between dynamics and phosphatase activity

Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis.

Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations.

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

The Druggable Pocketome of Corynebacterium diphtheriae: A New Approach for in silico Putative Druggable Targets

The crystal structure of the MAP kinase LmaMPK10 from Leishmania major reveals parasite-specific features and regulatory mechanisms

Thiol redox biochemistry: insights from computer simulations

TuberQ: a Mycobacterium tuberculosis protein druggability database

Two novel DNA variants associated with glucose-6-phosphate dehydrogenase deficiency found in Argentine pediatric patients

Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures

WATCLUST: a tool for improving the design of drugs based on protein-water interactions

Whole genome sequencing reveals a de novo SHANK3 mutation in familial autism spectrum disorder.

p38γ activation triggers dynamical changes in allosteric docking sites