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Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation

Proceedings of the National Academy of Sciences - PNAS, 2019-10, Vol.116 (41), p.20446-20452

2019

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Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

Communications biology, 2021-02, Vol.4 (1), p.243-243, Article 243

2021

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Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

Nature communications, 2022-10, Vol.13 (1), p.5884-24, Article 5884

2022

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Effects of pressure on the dynamics of an oligomeric protein from deep-sea hyperthermophile

Proceedings of the National Academy of Sciences - PNAS, 2015-11, Vol.112 (45), p.13886-13891

2015

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Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins

Frontiers in molecular biosciences, 2019-08, Vol.6, p.64-64

2019

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Water molecule ordering on the surface of an intrinsically disordered protein

Biophysical journal, 2023-11, Vol.122 (22), p.4326-4335

2023

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Experimental mapping of short-wavelength phonons in proteins

Innovation (New York, NY), 2022-01, Vol.3 (1), p.100199-100199, Article 100199

2022

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Disordered Domain Shifts the Conformational Ensemble of the Folded Regulatory Domain of the Multidomain Oncoprotein c‑Src

Biomacromolecules, 2023-02, Vol.24 (2), p.714-723

2023

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Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study

Biophysical journal, 2020-07, Vol.119 (1), p.142-150

2020

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Arabinose substitution effect on xylan rigidity and self-aggregation

Cellulose (London), 2019-03, Vol.26 (4), p.2267-2278

2019

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Effect of molecular shape on rotation under severe confinement

Chemical engineering science, 2018-04, Vol.180 (C), p.33-41

2018

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Small-Angle Neutron Scattering Reveals Energy Landscape for Rhodopsin Photoactivation

The journal of physical chemistry letters, 2018-12, Vol.9 (24), p.7064-7071

2018

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Quasi-elastic Neutron Scattering Reveals Ligand-Induced Protein Dynamics of a G‑Protein-Coupled Receptor

The journal of physical chemistry letters, 2016-10, Vol.7 (20), p.4130-4136

2016

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Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

The journal of physical chemistry. B, 2017-02, Vol.121 (5), p.923-930

2017

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Water molecule ordering on the surface of an intrinsically disordered protein

Biophysical journal, 2023-10, Vol.122 (22)

2023

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Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study

Biophysical journal, 2020-07, Vol.119 (1)

2020

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Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study

Chemical physics, 2018-08, Vol.516 (C)

2018

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Balance between Protein Softness and Rigidity Assessed by Inelastic X-ray Scattering

Biophysical journal, 2017-02, Vol.112 (3), p.201a-201a

2017

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idpflex: Analysis of Intrinsically Disordered Proteins by Comparing Simulations to Small Angle Scattering Experiments

Journal of open source software, 2018-12, Vol.3 (32), p.1007

2018

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Dynamic Behavior of Oligomeric Inorganic Pyrophosphatase (IPPASE) Studied by Quasielastic Neutron Scattering

Biophysical journal, 2014-01, Vol.106 (2), p.650a-651a

2014

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Exploring the physics of proteins at molecular level by neutron and X-ray scattering

Shrestha, Utsab R

2017

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Probing the Domain Motions of an Oligomeric Protein from Deep-Sea Hyperthermophile by Neutron Spin Echo

Biophysical journal, 2015-01, Vol.108 (2), p.59a-59a

2015

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Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation

Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

Effects of pressure on the dynamics of an oligomeric protein from deep-sea hyperthermophile

Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins

Water molecule ordering on the surface of an intrinsically disordered protein

Experimental mapping of short-wavelength phonons in proteins

Disordered Domain Shifts the Conformational Ensemble of the Folded Regulatory Domain of the Multidomain Oncoprotein c‑Src

Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study

Arabinose substitution effect on xylan rigidity and self-aggregation

Effect of molecular shape on rotation under severe confinement

Small-Angle Neutron Scattering Reveals Energy Landscape for Rhodopsin Photoactivation

Quasi-elastic Neutron Scattering Reveals Ligand-Induced Protein Dynamics of a G‑Protein-Coupled Receptor

Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

Water molecule ordering on the surface of an intrinsically disordered protein

Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study

Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study

Balance between Protein Softness and Rigidity Assessed by Inelastic X-ray Scattering

idpflex: Analysis of Intrinsically Disordered Proteins by Comparing Simulations to Small Angle Scattering Experiments

Dynamic Behavior of Oligomeric Inorganic Pyrophosphatase (IPPASE) Studied by Quasielastic Neutron Scattering

Exploring the physics of proteins at molecular level by neutron and X-ray scattering

Probing the Domain Motions of an Oligomeric Protein from Deep-Sea Hyperthermophile by Neutron Spin Echo

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