List of works - Alessandro Grottesi

A Kv channel with an altered activation gate sequence displays both "fast" and "slow" activation kinetics.

scientific article

Autism with seizures and intellectual disability: possible causative role of gain-of-function of the inwardly-rectifying K+ channel Kir4.1.

scientific article published on 31 March 2011

Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations.

scientific article published in November 2005

Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating.

scientific article published on 4 March 2005

Conformational switch of a flexible loop in human laminin receptor determines laminin-1 interaction ⬇️

scientific article published on 01 March 2012

Contribution of the central hydrophobic residue in the PXP motif of voltage-dependent K+ channels to S6 flexibility and gating properties

scientific article

Diverse driving forces underlie the invariant occurrence of the T42A, E139D, I282V and T468M SHP2 amino acid substitutions causing Noonan and LEOPARD syndromes

scientific article

Dynamic effects of mutations within two loops of cytochrome c551 from Pseudomonas aeruginosa

scientific article published on 01 February 2003

Early events in protein aggregation: molecular flexibility and hydrophobicity/charge interaction in amyloid peptides as studied by molecular dynamics simulations

scientific article published on 01 January 2005

Episodic ataxia type 1 mutations affect fast inactivation of K+ channels by a reduction in either subunit surface expression or affinity for inactivation domain.

scientific article published on 9 February 2011

Genetically induced dysfunctions of Kir2.1 channels: implications for short QT3 syndrome and autism-epilepsy phenotype.

scientific article published on 2 May 2014

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

scientific article published on 18 June 2008

Ion channel gates: comparative analysis of energy barriers.

scientific article

Ion channel gating: insights via molecular simulations.

scientific article published on November 2003

Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

scientific article published on 13 May 2014

Molecular dynamics simulation approaches to K channels: conformational flexibility and physiological function.

scientific article published in March 2005

Molecular dynamics simulations of a K+ channel blocker: Tc1 toxin from Tityus cambridgei.

scientific article

Molecular dynamics study of a hyperthermophilic and a mesophilic rubredoxin

scientific article published on 01 February 2002

Novel phenotype associated with a mutation in the KCNA1(Kv1.1) gene

scientific article

Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers.

scientific article

Parametrisation of the free energy of ATP binding to wild-type and mutant Kir6.2 potassium channels

scientific article published on 16 November 2012

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

scientific article published on 17 December 2019

Solution conformation of the Pseudomonas syringae MSU 16H phytotoxic lipodepsipeptide Pseudomycin A determined by computer simulations using distance geometry and molecular dynamics from NMR data.

scientific article

Structural and dynamic analysis of G558R mutation in chicken TSHR gene shows altered signal transduction and corroborates its role as a domestication gene

scientific article published on 20 November 2019

Temporary secondary structures in tau, an intrinsically disordered protein

scientific article published in June 2012

The conformation of peptide thymosin alpha 1 in solution and in a membrane-like environment by circular dichroism and NMR spectroscopy. A possible model for its interaction with the lymphocyte membrane.

scientific article

The intrinsic flexibility of the Kv voltage sensor and its implications for channel gating.

scientific article published on 2 December 2005

Vstx1, a modifier of Kv channel gating, localizes to the interfacial region of lipid bilayers

scientific article published on 01 October 2006

List of works by Alessandro Grottesi

A Kv channel with an altered activation gate sequence displays both "fast" and "slow" activation kinetics.

Autism with seizures and intellectual disability: possible causative role of gain-of-function of the inwardly-rectifying K+ channel Kir4.1.

Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations.

Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating.

Conformational switch of a flexible loop in human laminin receptor determines laminin-1 interaction ⬇️

Contribution of the central hydrophobic residue in the PXP motif of voltage-dependent K+ channels to S6 flexibility and gating properties

Diverse driving forces underlie the invariant occurrence of the T42A, E139D, I282V and T468M SHP2 amino acid substitutions causing Noonan and LEOPARD syndromes

Dynamic effects of mutations within two loops of cytochrome c551 from Pseudomonas aeruginosa

Early events in protein aggregation: molecular flexibility and hydrophobicity/charge interaction in amyloid peptides as studied by molecular dynamics simulations

Episodic ataxia type 1 mutations affect fast inactivation of K+ channels by a reduction in either subunit surface expression or affinity for inactivation domain.

Genetically induced dysfunctions of Kir2.1 channels: implications for short QT3 syndrome and autism-epilepsy phenotype.

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

Ion channel gates: comparative analysis of energy barriers.

Ion channel gating: insights via molecular simulations.

Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

Molecular dynamics simulation approaches to K channels: conformational flexibility and physiological function.

Molecular dynamics simulations of a K+ channel blocker: Tc1 toxin from Tityus cambridgei.

Molecular dynamics study of a hyperthermophilic and a mesophilic rubredoxin

Novel phenotype associated with a mutation in the KCNA1(Kv1.1) gene

Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers.

Parametrisation of the free energy of ATP binding to wild-type and mutant Kir6.2 potassium channels

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

Solution conformation of the Pseudomonas syringae MSU 16H phytotoxic lipodepsipeptide Pseudomycin A determined by computer simulations using distance geometry and molecular dynamics from NMR data.

Structural and dynamic analysis of G558R mutation in chicken TSHR gene shows altered signal transduction and corroborates its role as a domestication gene

Temporary secondary structures in tau, an intrinsically disordered protein

The conformation of peptide thymosin alpha 1 in solution and in a membrane-like environment by circular dichroism and NMR spectroscopy. A possible model for its interaction with the lymphocyte membrane.

The intrinsic flexibility of the Kv voltage sensor and its implications for channel gating.

Vstx1, a modifier of Kv channel gating, localizes to the interfacial region of lipid bilayers