Lista de obras - Mattia Sturlese - Dominio Público Uruguay

1H, 13C and 15N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei

artículo científico publicado en 2015

1H, 13C and 15N resonance assignment of the mature form of monothiol glutaredoxin 1 from the pathogen Trypanosoma brucei

artículo científico publicado en 2014

A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection

artículo científico publicado en 2020

A molecular dynamics strategy for CSαβ peptides disulfide-assisted model refinement

artículo científico publicado en 2016

AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association.

artículo científico publicado en 2017

Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database

artículo científico publicado en 2019

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.

artículo científico

Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference

artículo científico publicado en 2020

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

artículo científico publicado en 2016

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

artículo científico publicado en 2019

Design, conformational studies and analysis of structure-function relationships of PTH (1-11) analogues: the essential role of Val in position 2.

artículo científico publicado en 2011

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.

artículo científico publicado en 2016

DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.

artículo científico publicado en 2015

Dopamine-derived quinones affect the structure of the redox sensor DJ-1 through modifications at Cys-106 and Cys-53

artículo científico publicado en 2012

Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones

scientific article published on 03 June 2019

Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach

artículo científico publicado en 2017

FRET-Protease-Coupled Peptidyl-Prolyl cis-trans Isomerase Assay

HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR

artículo científico publicado en 2021

Identification of a novel Mcl-1 protein binding motif

artículo científico publicado en 2011

In Silico 3D Modeling of Binding Activities

artículo científico publicado en 2016

Iron–Sulfur Cluster Binding by Mitochondrial Monothiol Glutaredoxin-1 of Trypanosoma brucei : Molecular Basis of Iron–Sulfur Cluster Coordination and Relevance for Parasite Infectivity

artículo científico publicado en 2013

MMsINC: a large-scale chemoinformatics database

artículo científico publicado en 2008

MMsINC®: A New Public Large-Scale Chemoinformatics Database System

Molecular architecture and the structural basis for anion interaction in prestin and SLC26 transporters

artículo científico publicado en 2014

NMR-Assisted Molecular Docking Methodologies

artículo científico publicado en 2015

New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova

artículo científico publicado en 2016

Polyamine-Based Thiols in Trypanosomatids: Evolution, Protein Structural Adaptations, and Biological Functions.

artículo científico publicado en 2017

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations

artículo científico publicado en 2019

SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease

artículo científico publicado en 2008

Side chain cyclization based on serine residues: synthesis, structure, and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11.

artículo científico publicado en 2010

Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors

artículo científico publicado en 2017

Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors

artículo científico publicado en 2017

Synthesis and structural studies of new analogues of PTH(1–11) containing Cα-tetra-substituted amino acids in position 8

Synthesis, biological evaluation and molecular modeling studies of phthalazin-1(2H)-one derivatives as novel cholinesterase inhibitors

scholarly article in RSC Advances, vol. 6 no. 52, 2016

Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents.

artículo científico publicado en 2016

Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs.

artículo científico publicado en 2017

The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives

artículo científico publicado en 2015

The lineage-specific, intrinsically disordered N-terminal extension of monothiol glutaredoxin 1 from trypanosomes contains a regulatory region

artículo científico publicado en 2018

The rise of molecular simulations in fragment-based drug design (FBDD): an overview

artículo científico publicado en 2020

The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles

artículo científico publicado en 2017

Lista de obras de Mattia Sturlese

1H, 13C and 15N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei

1H, 13C and 15N resonance assignment of the mature form of monothiol glutaredoxin 1 from the pathogen Trypanosoma brucei

A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection

A molecular dynamics strategy for CSαβ peptides disulfide-assisted model refinement

AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association.

Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.

Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

Design, conformational studies and analysis of structure-function relationships of PTH (1-11) analogues: the essential role of Val in position 2.

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.

DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.

Dopamine-derived quinones affect the structure of the redox sensor DJ-1 through modifications at Cys-106 and Cys-53

Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones

Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach

FRET-Protease-Coupled Peptidyl-Prolyl cis-trans Isomerase Assay

HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR

Identification of a novel Mcl-1 protein binding motif

In Silico 3D Modeling of Binding Activities

Iron–Sulfur Cluster Binding by Mitochondrial Monothiol Glutaredoxin-1 of Trypanosoma brucei : Molecular Basis of Iron–Sulfur Cluster Coordination and Relevance for Parasite Infectivity

MMsINC: a large-scale chemoinformatics database

MMsINC®: A New Public Large-Scale Chemoinformatics Database System

Molecular architecture and the structural basis for anion interaction in prestin and SLC26 transporters

NMR-Assisted Molecular Docking Methodologies

New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova

Polyamine-Based Thiols in Trypanosomatids: Evolution, Protein Structural Adaptations, and Biological Functions.

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations

SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease

Side chain cyclization based on serine residues: synthesis, structure, and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11.

Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors

Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors

Synthesis and structural studies of new analogues of PTH(1–11) containing Cα-tetra-substituted amino acids in position 8

Synthesis, biological evaluation and molecular modeling studies of phthalazin-1(2H)-one derivatives as novel cholinesterase inhibitors

Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents.

Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs.

The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives

The lineage-specific, intrinsically disordered N-terminal extension of monothiol glutaredoxin 1 from trypanosomes contains a regulatory region

The rise of molecular simulations in fragment-based drug design (FBDD): an overview

The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles