Lista de obras -

A coarse-grained protein-protein potential derived from an all-atom force field

artículo científico publicado en 2007

A semi-implicit solvent model for the simulation of peptides and proteins.

artículo científico publicado en 2004

Binding Modes of a Glycopeptidomimetic Molecule on Aβ Protofibrils: Implication for Its Inhibition Mechanism

artículo científico publicado en 2018

Biochemical analysis of leishmanial and human GDP-Mannose Pyrophosphorylases and selection of inhibitors as new leads.

artículo científico publicado en 2017

Cetuximab directly inhibits P-glycoprotein function in vitro independently of EGFR binding.

artículo científico publicado en 2015

Coarse-grained models of the proteins backbone conformational dynamics.

artículo científico publicado en 2014

Comparative study of structural models of Leishmania donovani and human GDP-mannose pyrophosphorylases

artículo científico publicado en 2015

Conformational Ensemble and Biological Role of the TCTP Intrinsically Disordered Region: Influence of Calcium and Phosphorylation

scholarly article by Florian Malard published in May 2018

Effect of Post-Translational Amidation on Islet Amyloid Polypeptide Conformational Ensemble: Implications for Its Aggregation Early Steps

artículo científico publicado en 2016

Exploring the Alzheimer amyloid-β peptide conformational ensemble: A review of molecular dynamics approaches.

artículo científico

Flexibility of the B-DNA backbone: effects of local and neighbouring sequences on pyrimidine-purine steps ⬇️

artículo científico publicado el 1 de marzo de 1998

GDP-Mannose Pyrophosphorylase: A Biologically Validated Target for Drug Development Against Leishmaniasis

scientific article published on 31 May 2019

Influence of GTP/GDP and magnesium ion on the solvated structure of the protein FtsZ: a molecular dynamics study ⬇️

artículo científico publicado el 19 de junio de 2013

Influence of drug binding on DNA flexibility: a normal mode analysis

scientific article published on 01 June 1997

Insights into the Conformational Ensemble of Human Islet Amyloid Polypeptide from Molecular Simulations

artículo científico publicado en 2016

Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences.

artículo científico publicado en 2016

Investigation into Early Steps of Actin Recognition by the Intrinsically Disordered N-WASP Domain V

artículo científico publicado en 2019

Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION.

artículo científico publicado en 2012

Molecular Dynamics Simulations Combined with Nuclear Magnetic Resonance and/or Small-Angle X-ray Scattering Data for Characterizing Intrinsically Disordered Protein Conformational Ensembles

scientific article published on 18 March 2019

Particle-Based Implicit Solvent Model for Biosimulations: Application to Proteins and Nucleic Acids Hydration.

artículo científico publicado en 2006

Phosphorylation controls the interaction of the connexin43 C-terminal domain with tubulin and microtubules

artículo científico publicado en 2012

Protein Backbone Dynamics Simulations Using Coarse-Grained Bonded Potentials and Simplified Hydrogen Bonds

artículo científico publicado en 2010

Simulations of the Upper Critical Solution Temperature Behavior of Poly(ornithine-<i>co</i>-citrulline)s Using MARTINI-Based Coarse-Grained Force Fields

artículo científico publicado en 2021

Structural Characterization of N-WASP Domain V Using MD Simulations with NMR and SAXS Data

artículo científico publicado en 2019

Structure of ring-shaped Aβ₄₂ oligomers determined by conformational selection

artículo científico

Structure-activity relationships of β-hairpin mimics as modulators of amyloid β-peptide aggregation

artículo científico publicado en 2018

The use of 4,4,4-trifluorothreonine to stabilize extended peptide structures and mimic β-strands

artículo científico publicado en 2017

Lista de obras de

A coarse-grained protein-protein potential derived from an all-atom force field

A semi-implicit solvent model for the simulation of peptides and proteins.

Binding Modes of a Glycopeptidomimetic Molecule on Aβ Protofibrils: Implication for Its Inhibition Mechanism

Biochemical analysis of leishmanial and human GDP-Mannose Pyrophosphorylases and selection of inhibitors as new leads.

Cetuximab directly inhibits P-glycoprotein function in vitro independently of EGFR binding.

Coarse-grained models of the proteins backbone conformational dynamics.

Comparative study of structural models of Leishmania donovani and human GDP-mannose pyrophosphorylases

Conformational Ensemble and Biological Role of the TCTP Intrinsically Disordered Region: Influence of Calcium and Phosphorylation

Effect of Post-Translational Amidation on Islet Amyloid Polypeptide Conformational Ensemble: Implications for Its Aggregation Early Steps

Exploring the Alzheimer amyloid-β peptide conformational ensemble: A review of molecular dynamics approaches.

Flexibility of the B-DNA backbone: effects of local and neighbouring sequences on pyrimidine-purine steps ⬇️

GDP-Mannose Pyrophosphorylase: A Biologically Validated Target for Drug Development Against Leishmaniasis

Influence of GTP/GDP and magnesium ion on the solvated structure of the protein FtsZ: a molecular dynamics study ⬇️

Influence of drug binding on DNA flexibility: a normal mode analysis

Insights into the Conformational Ensemble of Human Islet Amyloid Polypeptide from Molecular Simulations

Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences.

Investigation into Early Steps of Actin Recognition by the Intrinsically Disordered N-WASP Domain V

Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION.

Molecular Dynamics Simulations Combined with Nuclear Magnetic Resonance and/or Small-Angle X-ray Scattering Data for Characterizing Intrinsically Disordered Protein Conformational Ensembles

Particle-Based Implicit Solvent Model for Biosimulations: Application to Proteins and Nucleic Acids Hydration.

Phosphorylation controls the interaction of the connexin43 C-terminal domain with tubulin and microtubules

Protein Backbone Dynamics Simulations Using Coarse-Grained Bonded Potentials and Simplified Hydrogen Bonds

Simulations of the Upper Critical Solution Temperature Behavior of Poly(ornithine-<i>co</i>-citrulline)s Using MARTINI-Based Coarse-Grained Force Fields

Structural Characterization of N-WASP Domain V Using MD Simulations with NMR and SAXS Data

Structure of ring-shaped Aβ₄₂ oligomers determined by conformational selection

Structure-activity relationships of β-hairpin mimics as modulators of amyloid β-peptide aggregation

The use of 4,4,4-trifluorothreonine to stabilize extended peptide structures and mimic β-strands