Lista de obras - Sarah A Harris - Dominio Público Uruguay

A comparison of the electromechanical properties of structurally diverse proteins by molecular dynamics simulation

artículo científico publicado en 2013

A simple physical description of DNA dynamics: quasi-harmonic analysis as a route to the configurational entropy.

artículo científico publicado en 2007

Affimer proteins inhibit immune complex binding to FcγRIIIa with high specificity through competitive and allosteric modes of action ⬇️

artículo científico publicado en 2017

An in silico design for a DNA nanomechanical switch.

artículo científico publicado en 2010

Atomistic Molecular Dynamics Simulations of DNA Minicircle Topoisomers: A Practical Guide to Setup, Performance, and Analysis

artículo científico publicado en 2016

Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA.

artículo científico publicado en 2011

Base-pair resolution analysis of the effect of supercoiling on DNA flexibility and major groove recognition by triplex-forming oligonucleotides

scientific article published on 16 February 2021

Bullied no more: when and how DNA shoves proteins around

artículo científico publicado en 2012

Comparison of molecular contours for measuring writhe in atomistic supercoiled DNA.

artículo científico publicado en 2015

Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry

article

Defining Dynamics of Membrane-Bound Pyrophosphatases by Experimental and Computational Single-Molecule FRET

artículo científico publicado en 2018

Effect of sequence variation on the mechanical response of amyloid fibrils probed by steered molecular dynamics simulation

artículo científico publicado en 2012

Erratum: Structural diversity of supercoiled DNA

artículo científico publicado en 2015

Exploring the dynamics of flagellar dynein within the axoneme with Fluctuating Finite Element Analysis

scientific article published on 10 August 2020

Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator ⬇️

artículo científico publicado en 2016

Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules. ⬇️

artículo científico publicado en 2018

In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation

artículo científico publicado en 2015

Induced fit DNA recognition by a minor groove binding analogue of Hoechst 33258: fluctuations in DNA A tract structure investigated by NMR and molecular dynamics simulations

artículo científico publicado en 2001

Interference between Triplex and Protein Binding to Distal Sites on Supercoiled DNA. ⬇️

artículo científico publicado en 2017

KOBRA: a fluctuating elastic rod model for slender biological macromolecules

scientific article published on 24 July 2020

Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation ⬇️

artículo científico publicado en 2016

Mapping the phase diagram of the writhe of DNA nanocircles using atomistic molecular dynamics simulations

artículo científico publicado en 2007

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design

artículo científico publicado en 2021

Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA.

artículo científico publicado en 2004

Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects ⬇️

artículo científico publicado en 2013

Monitoring oligomer formation from self-aggregating amylin peptides using ESI-IMS-MS

Parmbsc1: a refined force field for DNA simulations ⬇️

artículo científico publicado en 2015

Peptide strand length controls the energetics of self-assembly and morphology of β-sheet fibrils ⬇️

artículo científico publicado en 2017

Peptide synthesis and self-assembly.

artículo científico publicado en 2012

Phosphorylation as a tool to modulate aggregation propensity and to predict fibril architecture

artículo científico publicado en 2011

Protein/DNA interactions in complex DNA topologies: expect the unexpected ⬇️

artículo científico publicado en 2016

Protein/DNA interactions in complex DNA topologies: expect the unexpected. ⬇️

artículo científico publicado en 2016

Quantum-assisted biomolecular modelling.

artículo científico publicado en 2010

Securing the future of research computing in the biosciences

scientific article published on 16 May 2019

Seeing Supercoiled DNA with Atomistic Simulation: A New Twist on a Familiar Structure ⬇️

Simulations of DNA topoisomerase 1B bound to supercoiled DNA reveal changes in the flexibility pattern of the enzyme and a secondary protein-DNA binding site

artículo científico publicado en 2014

Skp is a multivalent chaperone of outer-membrane proteins ⬇️

artículo científico publicado en 2016

Small DNA circles as probes of DNA topology

artículo científico publicado en 2013

Spectrum of pathogenic variants and multiple founder effects in amelogenesis imperfecta associated with MMP20

artículo científico publicado en 2020

Stretched DNA investigated using molecular-dynamics and quantum-mechanical calculations.

artículo científico publicado en 2010

Structural diversity of supercoiled DNA. ⬇️

artículo científico publicado en 2015

Structure of the microtubule-binding domain of flagellar dynein

artículo científico publicado en 2014

Systematic Examination of Polymorphism in Amyloid Fibrils by Molecular-Dynamics Simulation ⬇️

artículo científico publicado el 4 de mayo de 2011

Thermodynamic description of polymorphism in Q- and N-rich peptide aggregates revealed by atomistic simulation

artículo científico publicado en 2009

Thermodynamics of writhe in DNA minicircles from molecular dynamics simulations.

artículo científico publicado en 2013

Topological aspects of DNA function and protein folding

artículo científico publicado en 2013

Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling ⬇️

artículo científico publicado en 2014

Lista de obras de Sarah A Harris

A comparison of the electromechanical properties of structurally diverse proteins by molecular dynamics simulation

A simple physical description of DNA dynamics: quasi-harmonic analysis as a route to the configurational entropy.

Affimer proteins inhibit immune complex binding to FcγRIIIa with high specificity through competitive and allosteric modes of action ⬇️

An in silico design for a DNA nanomechanical switch.

Atomistic Molecular Dynamics Simulations of DNA Minicircle Topoisomers: A Practical Guide to Setup, Performance, and Analysis

Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA.

Base-pair resolution analysis of the effect of supercoiling on DNA flexibility and major groove recognition by triplex-forming oligonucleotides

Bullied no more: when and how DNA shoves proteins around

Comparison of molecular contours for measuring writhe in atomistic supercoiled DNA.

Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry

Defining Dynamics of Membrane-Bound Pyrophosphatases by Experimental and Computational Single-Molecule FRET

Effect of sequence variation on the mechanical response of amyloid fibrils probed by steered molecular dynamics simulation

Erratum: Structural diversity of supercoiled DNA

Exploring the dynamics of flagellar dynein within the axoneme with Fluctuating Finite Element Analysis

Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator ⬇️

Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules. ⬇️

In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation

Induced fit DNA recognition by a minor groove binding analogue of Hoechst 33258: fluctuations in DNA A tract structure investigated by NMR and molecular dynamics simulations

Interference between Triplex and Protein Binding to Distal Sites on Supercoiled DNA. ⬇️

KOBRA: a fluctuating elastic rod model for slender biological macromolecules

Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation ⬇️

Mapping the phase diagram of the writhe of DNA nanocircles using atomistic molecular dynamics simulations

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design

Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA.

Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects ⬇️

Monitoring oligomer formation from self-aggregating amylin peptides using ESI-IMS-MS

Parmbsc1: a refined force field for DNA simulations ⬇️

Peptide strand length controls the energetics of self-assembly and morphology of β-sheet fibrils ⬇️

Peptide synthesis and self-assembly.

Phosphorylation as a tool to modulate aggregation propensity and to predict fibril architecture

Protein/DNA interactions in complex DNA topologies: expect the unexpected ⬇️

Protein/DNA interactions in complex DNA topologies: expect the unexpected. ⬇️

Quantum-assisted biomolecular modelling.

Securing the future of research computing in the biosciences

Seeing Supercoiled DNA with Atomistic Simulation: A New Twist on a Familiar Structure ⬇️

Simulations of DNA topoisomerase 1B bound to supercoiled DNA reveal changes in the flexibility pattern of the enzyme and a secondary protein-DNA binding site

Skp is a multivalent chaperone of outer-membrane proteins ⬇️

Small DNA circles as probes of DNA topology

Spectrum of pathogenic variants and multiple founder effects in amelogenesis imperfecta associated with MMP20

Stretched DNA investigated using molecular-dynamics and quantum-mechanical calculations.

Structural diversity of supercoiled DNA. ⬇️

Structure of the microtubule-binding domain of flagellar dynein

Systematic Examination of Polymorphism in Amyloid Fibrils by Molecular-Dynamics Simulation ⬇️

Thermodynamic description of polymorphism in Q- and N-rich peptide aggregates revealed by atomistic simulation

Thermodynamics of writhe in DNA minicircles from molecular dynamics simulations.

Topological aspects of DNA function and protein folding

Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling ⬇️