Lista de obras -

All-atom generalized-ensemble simulations of small proteins.

artículo científico publicado en 2004

Binding of ACE-inhibitors to in vitro and patient-derived amyloid-β fibril models.

artículo científico publicado en 2016

Cleavage, Downregulation, and Aggregation of Serum Amyloid A

scientific article published on 30 January 2020

Conversion between parallel and antiparallel β-sheets in wild-type and Iowa mutant Aβ40 fibrils.

artículo científico publicado en 2018

Correction to Simulating Protein Fold Switching by Replica Exchange with Tunneling

artículo científico publicado en 2016

Dynamics and optimal number of replicas in parallel tempering simulations

scientific article published on 04 December 2007

Effect of single point mutations in a form of systemic amyloidosis.

artículo científico publicado en 2015

Efficient sampling of protein structures by model hopping.

artículo científico publicado en 2005

Energy landscape paving simulations of the trp-cage protein

artículo científico publicado en 2005

Exploring protein energy landscapes with hierarchical clustering.

artículo científico publicado en 2005

Fibril-Barrel Transitions in Cylindrin Amyloids.

artículo científico publicado en 2017

Folding Simulations of the A and B Domains of Protein G ⬇️

artículo científico publicado el 24 de enero de 2012

Folding and association of a homotetrameric protein complex in an all-atom Go model ⬇️

artículo científico publicado el 11 de enero de 2013

Folding and self-assembly of a small heterotetramer

artículo científico publicado en 2014

Folding and self-assembly of a small protein complex

artículo científico publicado en 2012

Folding of proteins with diverse folds

artículo científico publicado en 2006

Generalized ensemble and tempering simulations: a unified view.

artículo científico publicado en 2007

Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34)

artículo científico publicado en 2004

Global optimization by energy landscape paving.

artículo científico publicado en 2002

Ground-state properties of the three-dimensional Ising spin glass

artículo científico publicado en 1994

Helix versus sheet formation in a small peptide.

artículo científico publicado en 2003

In silico cross seeding of Aβ and amylin fibril-like oligomers. ⬇️

artículo científico publicado en 2013

Inter-species cross-seeding: stability and assembly of rat-human amylin aggregates

artículo científico publicado en 2014

Large fatty acid-derived Aβ42 oligomers form ring-like assemblies

artículo científico publicado en 2019

Microcanonical replica exchange molecular dynamics simulation of proteins

artículo científico publicado en 2009

Modeling Structural Flexibility of Proteins with Go-Models

artículo científico publicado en 2012

Molecular dynamics simulations of early steps in RNA-mediated conversion of prions.

artículo científico publicado en 2017

Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering.

artículo científico publicado en 1996

Multicanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.

artículo científico publicado en 2014

Multicanonical Monte Carlo simulations of a de novo designed protein with end-to-end β-sheet

scientific article published on 01 February 2014

Multifunnel Landscape of the Fold-Switching Protein RfaH-CTD.

artículo científico publicado en 2018

Mutations Alter RNA-Mediated Conversion of Human Prions.

artículo científico publicado en 2018

Mutations and seeding of amylin fibril-like oligomers

artículo científico publicado en 2013

New Monte Carlo algorithms for protein folding.

artículo científico publicado en 1999

On the lack of polymorphism in Aβ-peptide aggregates derived from patient brains

artículo científico publicado en 2015

Optimized explicit-solvent replica exchange molecular dynamics from scratch.

artículo científico publicado en 2008

Optimizing replica exchange moves for molecular dynamics

scientific article published on 15 November 2007

Out-of-Register Aβ42 Assemblies as Models for Neurotoxic Oligomers and Fibrils

artículo científico publicado en 2018

Pearl-Necklace-Like Local Ordering Drives Polypeptide Collapse

scientific article published on 15 July 2019

Protein structure prediction by tempering spatial constraints.

artículo científico publicado en 2005

Proteinlike behavior of a spin system near the transition between a ferromagnet and a spin glass

artículo científico publicado en 2001

Replica-exchange-with-tunneling for fast exploration of protein landscapes.

artículo científico publicado en 2015

Response to "Comment on 'Replica-exchange-with-tunneling for fast exploration of protein landscapes"' [J. Chem. Phys. 145, 057101 (2016)].

artículo científico publicado en 2016

Ring polymer simulations with global radius of curvature

scientific article published on 23 May 2007

Ring-like N-fold Models of Aβ42 fibrils.

artículo científico publicado en 2017

Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics

scientific article published on August 2013

Self-assembly of phenylalanine-based molecules

artículo científico publicado en 2014

Short-time dynamics of polypeptides

scientific article published on 01 January 2007

Short-time dynamics of the helix-coil transition in polypeptides

scientific article published on 21 April 2006

Side-chain and backbone ordering in a polypeptide

scientific article published on 01 October 2006

Side-chain and backbone ordering in homopolymers

scientific article published on 04 April 2007

Simulations of a small protein in a specifically designed generalized ensemble

artículo científico publicado en 2004

Solvation model dependency of helix-coil transition in polyalanine

artículo científico publicado en 2002

Stability of Aβ-fibril fragments in the presence of fatty acids

scientific article published on 11 September 2019

Stability of Human Serum Amyloid A Fibrils

artículo científico publicado en 2020

Stability of Iowa mutant and wild type Aβ-peptide aggregates

artículo científico publicado en 2014

Stability of Osaka Mutant and Wild-Type Fibril Models

scientific article published on 02 October 2015

Stability of a Recently Found Triple-β-Stranded Aβ1-42 Fibril Motif

artículo científico publicado en 2016

Stability of amyloid oligomers

artículo científico publicado en 2014

Stability of the N-Terminal Helix and Its Role in Amyloid Formation of Serum Amyloid A

artículo científico publicado en 2018

Structure and Dynamics of Amyloid-β Segmental Polymorphisms ⬇️

artículo científico publicado el 24 de julio de 2012

Structure determination of organic molecules from diffraction data by simulated annealing ⬇️

artículo científico publicado el 30 de octubre de 2001

Systematic study of the boundary composition in Poisson Boltzmann calculations

scientific article published on 01 December 2007

Temperature dependence of distributions of conformations of a small peptide.

artículo científico publicado en 1998

The effect of retro-inverse D-amino acid Aβ-peptides on Aβ-fibril formation

scientific article published on 01 March 2019

The stability of cylindrin β-barrel amyloid oligomer models-a molecular dynamics study.

artículo científico publicado en 2013

Lista de obras de

All-atom generalized-ensemble simulations of small proteins.

Binding of ACE-inhibitors to in vitro and patient-derived amyloid-β fibril models.

Cleavage, Downregulation, and Aggregation of Serum Amyloid A

Conversion between parallel and antiparallel β-sheets in wild-type and Iowa mutant Aβ40 fibrils.

Correction to Simulating Protein Fold Switching by Replica Exchange with Tunneling

Dynamics and optimal number of replicas in parallel tempering simulations

Effect of single point mutations in a form of systemic amyloidosis.

Efficient sampling of protein structures by model hopping.

Energy landscape paving simulations of the trp-cage protein

Exploring protein energy landscapes with hierarchical clustering.

Fibril-Barrel Transitions in Cylindrin Amyloids.

Folding Simulations of the A and B Domains of Protein G ⬇️

Folding and association of a homotetrameric protein complex in an all-atom Go model ⬇️

Folding and self-assembly of a small heterotetramer

Folding and self-assembly of a small protein complex

Folding of proteins with diverse folds

Generalized ensemble and tempering simulations: a unified view.

Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34)

Global optimization by energy landscape paving.

Ground-state properties of the three-dimensional Ising spin glass

Helix versus sheet formation in a small peptide.

In silico cross seeding of Aβ and amylin fibril-like oligomers. ⬇️

Inter-species cross-seeding: stability and assembly of rat-human amylin aggregates

Large fatty acid-derived Aβ42 oligomers form ring-like assemblies

Microcanonical replica exchange molecular dynamics simulation of proteins

Modeling Structural Flexibility of Proteins with Go-Models

Molecular dynamics simulations of early steps in RNA-mediated conversion of prions.

Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering.

Multicanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.

Multicanonical Monte Carlo simulations of a de novo designed protein with end-to-end β-sheet

Multifunnel Landscape of the Fold-Switching Protein RfaH-CTD.

Mutations Alter RNA-Mediated Conversion of Human Prions.

Mutations and seeding of amylin fibril-like oligomers

New Monte Carlo algorithms for protein folding.

On the lack of polymorphism in Aβ-peptide aggregates derived from patient brains

Optimized explicit-solvent replica exchange molecular dynamics from scratch.

Optimizing replica exchange moves for molecular dynamics

Out-of-Register Aβ42 Assemblies as Models for Neurotoxic Oligomers and Fibrils

Pearl-Necklace-Like Local Ordering Drives Polypeptide Collapse

Protein structure prediction by tempering spatial constraints.

Proteinlike behavior of a spin system near the transition between a ferromagnet and a spin glass

Replica-exchange-with-tunneling for fast exploration of protein landscapes.

Response to "Comment on 'Replica-exchange-with-tunneling for fast exploration of protein landscapes"' [J. Chem. Phys. 145, 057101 (2016)].

Ring polymer simulations with global radius of curvature

Ring-like N-fold Models of Aβ42 fibrils.

Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics

Self-assembly of phenylalanine-based molecules

Short-time dynamics of polypeptides

Short-time dynamics of the helix-coil transition in polypeptides

Side-chain and backbone ordering in a polypeptide

Side-chain and backbone ordering in homopolymers

Simulations of a small protein in a specifically designed generalized ensemble

Solvation model dependency of helix-coil transition in polyalanine

Stability of Aβ-fibril fragments in the presence of fatty acids

Stability of Human Serum Amyloid A Fibrils

Stability of Iowa mutant and wild type Aβ-peptide aggregates

Stability of Osaka Mutant and Wild-Type Fibril Models

Stability of a Recently Found Triple-β-Stranded Aβ1-42 Fibril Motif

Stability of amyloid oligomers

Stability of the N-Terminal Helix and Its Role in Amyloid Formation of Serum Amyloid A

Structure and Dynamics of Amyloid-β Segmental Polymorphisms ⬇️

Structure determination of organic molecules from diffraction data by simulated annealing ⬇️

Systematic study of the boundary composition in Poisson Boltzmann calculations

Temperature dependence of distributions of conformations of a small peptide.

The effect of retro-inverse D-amino acid Aβ-peptides on Aβ-fibril formation

The stability of cylindrin β-barrel amyloid oligomer models-a molecular dynamics study.