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Protein Structure Prediction in Drug Discovery

Biomolecules (Basel, Switzerland), 2023-08, Vol.13 (8), p.1258

Paiardini, Alessandro

2023

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PyMod 2.0: improvements in protein sequence-structure analysis and homology modeling within PyMOL

Bioinformatics (Oxford, England), 2017-02, Vol.33 (3), p.444-446

2017

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Boosting the Full Potential of PyMOL with Structural Biology Plugins

Biomolecules (Basel, Switzerland), 2022-11, Vol.12 (12), p.1764

2022

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Nuclear localisation of Aurora-A: its regulation and significance for Aurora-A functions in cancer

Oncogene, 2021-06, Vol.40 (23), p.3917-3928

2021

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Making Use of Averaging Methods in MODELLER for Protein Structure Prediction

International journal of molecular sciences, 2024-02, Vol.25 (3), p.1731

2024

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When Just One Phosphate Is One Too Many: The Multifaceted Interplay between Myc and Kinases

International journal of molecular sciences, 2023-03, Vol.24 (5), p.4746

2023

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Structural adaptation of extreme halophilic proteins through decrease of conserved hydrophobic contact surface

BMC structural biology, 2011-12, Vol.11 (1), p.50-50, Article 50

2011

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A Machine Learning Perspective on DNA and RNA G-quadruplexes

Current bioinformatics, 2022-05, Vol.17 (4), p.305-309

2022

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Diffusible signal factors (DSFs) bind and repress VirF, the leading virulence activator of Shigella flexneri

Scientific reports, 2023-08, Vol.13 (1), p.13170-13170, Article 13170

2023

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Nutrient Sensing and Biofilm Modulation: The Example of L-arginine in Pseudomonas

International journal of molecular sciences, 2022-04, Vol.23 (8), p.4386

2022

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PyMod 3: a complete suite for structural bioinformatics in PyMOL

Bioinformatics, 2021-06, Vol.37 (10), p.1471-1472

2021

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Centaurea triumfetii essential oil chemical composition, comparative analysis, and antimicrobial activity of selected compounds

Scientific reports, 2023-05, Vol.13 (1), p.7475-7475, Article 7475

2023

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Revisiting the "satisfaction of spatial restraints" approach of MODELLER for protein homology modeling

PLoS computational biology, 2019-12, Vol.15 (12), p.e1007219-e1007219

2019

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C-di-GMP hydrolysis by Pseudomonas aeruginosa HD-GYP phosphodiesterases: analysis of the reaction mechanism and novel roles for pGpG

PloS one, 2013-09, Vol.8 (9), p.e74920-e74920

2013

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A Short ERAP2 That Binds IRAP Is Expressed in Macrophages Independently of Gene Variation

International journal of molecular sciences, 2022-04, Vol.23 (9), p.4961

2022

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Targeting staphylococcal enterotoxin B binding to CD28 as a new strategy for dampening superantigen-mediated intestinal epithelial barrier dysfunctions

Frontiers in immunology, 2024-03, Vol.15, p.1365074-1365074

2024

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Bivalent binding of staphylococcal superantigens to the TCR and CD28 triggers inflammatory signals independently of antigen presenting cells

Frontiers in immunology, 2023-05, Vol.14, p.1170821-1170821

2023

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Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases

Proceedings of the National Academy of Sciences - PNAS, 2011-12, Vol.108 (51), p.20514-20519

2011

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Phosphorylation, Mg-ADP, and Inhibitors Differentially Shape the Conformational Dynamics of the A-Loop of Aurora-A

Biomolecules (Basel, Switzerland), 2021-04, Vol.11 (4), p.567

2021

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Cytosolic serine hydroxymethyltransferase controls lung adenocarcinoma cells migratory ability by modulating AMP kinase activity

Cell death & disease, 2020-11, Vol.11 (11), p.1012-14, Article 1012

2020

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DockingPie: a consensus docking plugin for PyMOL

Bioinformatics, 2022-09, Vol.38 (17), p.4233-4234

2022

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Corrigendum: Bivalent binding of staphylococcal superantigens to the TCR and CD28 triggers inflammatory signals independently of antigen presenting cells

Frontiers in immunology, 2023-08, Vol.14, p.1273921-1273921

2023

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PHA-680626 Is an Effective Inhibitor of the Interaction between Aurora-A and N-Myc

International journal of molecular sciences, 2021-12, Vol.22 (23), p.13122

2021

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How pyridoxal 5′‐phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state

The FEBS journal, 2015-04, Vol.282 (7), p.1225-1241

2015

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The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells

The FEBS journal, 2018-09, Vol.285 (17), p.3238-3253

2018

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Protein Structure Prediction in Drug Discovery

PyMod 2.0: improvements in protein sequence-structure analysis and homology modeling within PyMOL

Boosting the Full Potential of PyMOL with Structural Biology Plugins

Nuclear localisation of Aurora-A: its regulation and significance for Aurora-A functions in cancer

Making Use of Averaging Methods in MODELLER for Protein Structure Prediction

When Just One Phosphate Is One Too Many: The Multifaceted Interplay between Myc and Kinases

Structural adaptation of extreme halophilic proteins through decrease of conserved hydrophobic contact surface

A Machine Learning Perspective on DNA and RNA G-quadruplexes

Diffusible signal factors (DSFs) bind and repress VirF, the leading virulence activator of Shigella flexneri

Nutrient Sensing and Biofilm Modulation: The Example of L-arginine in Pseudomonas

PyMod 3: a complete suite for structural bioinformatics in PyMOL

Centaurea triumfetii essential oil chemical composition, comparative analysis, and antimicrobial activity of selected compounds

Revisiting the "satisfaction of spatial restraints" approach of MODELLER for protein homology modeling

C-di-GMP hydrolysis by Pseudomonas aeruginosa HD-GYP phosphodiesterases: analysis of the reaction mechanism and novel roles for pGpG

A Short ERAP2 That Binds IRAP Is Expressed in Macrophages Independently of Gene Variation

Targeting staphylococcal enterotoxin B binding to CD28 as a new strategy for dampening superantigen-mediated intestinal epithelial barrier dysfunctions

Bivalent binding of staphylococcal superantigens to the TCR and CD28 triggers inflammatory signals independently of antigen presenting cells

Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases

Phosphorylation, Mg-ADP, and Inhibitors Differentially Shape the Conformational Dynamics of the A-Loop of Aurora-A

Cytosolic serine hydroxymethyltransferase controls lung adenocarcinoma cells migratory ability by modulating AMP kinase activity

DockingPie: a consensus docking plugin for PyMOL

Corrigendum: Bivalent binding of staphylococcal superantigens to the TCR and CD28 triggers inflammatory signals independently of antigen presenting cells

PHA-680626 Is an Effective Inhibitor of the Interaction between Aurora-A and N-Myc

How pyridoxal 5′‐phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state

The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells

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