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Multiscale enhanced sampling of intrinsically disordered protein conformations

Journal of computational chemistry, 2016-03, Vol.37 (6), p.550-557

2016

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Topology-based modeling of intrinsically disordered proteins: Balancing intrinsic folding and intermolecular interactions

Proteins, structure, function, and bioinformatics, 2011-04, Vol.79 (4), p.1251-1266

2011

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Can molecular dynamics simulations provide high-resolution refinement of protein structure?

Proteins, structure, function, and bioinformatics, 2007-06, Vol.67 (4), p.922-930

2007

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Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria

Journal of computational chemistry, 2017-06, Vol.38 (16), p.1332-1341

2017

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Necessity of high-resolution for coarse-grained modeling of flexible proteins

Journal of computational chemistry, 2016-07, Vol.37 (18), p.1725-1733

2016

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Accelerating atomistic simulations of proteins using multiscale enhanced sampling with independent tempering

Journal of computational chemistry, 2021-02, Vol.42 (5), p.358-364

2021

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Replica exchange with guided annealing for accelerated sampling of disordered protein conformations

Journal of computational chemistry, 2014-09, Vol.35 (23), p.1682-1689

2014

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Efficacy of independence sampling in replica exchange simulations of ordered and disordered proteins

Journal of computational chemistry, 2017-11, Vol.38 (30), p.2632-2640

2017

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Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units

Journal of computational chemistry, 2020-03, Vol.41 (8), p.830-838

2020

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Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

Journal of applied crystallography, 2016-12, Vol.49 (6), p.1861-1875

2016

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Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)1

Journal of applied crystallography, 2016-10, Vol.49 (Pt 6), p.1861-1875

2016

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FoldGPCR: Structure prediction protocol for the transmembrane domain of G protein-coupled receptors from class A

Proteins, structure, function, and bioinformatics, 2010-08, Vol.78 (10), p.2189-2201

2010

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Application of torsion angle molecular dynamics for efficient sampling of protein conformations

Journal of computational chemistry, 2005-11, Vol.26 (15), p.1565-1578

2005

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Structural characterization of two pore-forming peptides: Consequences of introducing a C-terminal tryptophan

Proteins, structure, function, and bioinformatics, 2010-08, Vol.78 (10), p.2238-2250

2010

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The role of astrocytes in oxidative stress of central nervous system: A mixed blessing

Cell proliferation, 2020-03, Vol.53 (3), p.e12781-n/a

2020

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Novel bioresource‐based poly(3‐Hydroxybutyrate‐co‐4‐Hydroxybutyrate)/poly(LacticAcid) blend fibers with high strength and toughness via melt‐spinning

Journal of applied polymer science, 2020-08, Vol.137 (32), p.n/a

2020

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FGF8 and BMP2 mediated dynamic regulation of dental mesenchyme proliferation and differentiation via Lhx8/Suv39h1 complex

Journal of cellular and molecular medicine, 2021-03, Vol.25 (6), p.3051-3062

2021

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Bioactivity and safety of B7‐H3‐targeted chimeric antigen receptor T cells against anaplastic meningioma

Clinical & translational immunology, 2020, Vol.9 (6), p.e1137-n/a

2020

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Promoting H2 Activation over Molybdenum Carbide by Modulation of Metal‐Support Interaction for Efficient Catalytic Hydrogenation

ChemCatChem, 2021-07, Vol.13 (14), p.3283-3289

2021

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Promoting H 2 Activation over Molybdenum Carbide by Modulation of Metal‐Support Interaction for Efficient Catalytic Hydrogenation

ChemCatChem, 2021-07, Vol.13 (14), p.3283-3289

2021

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Synthesis of sulfhydryl‐functionalized polymers for the efficient adsorption of Pd 2+ and Ag + from aqueous solution

Journal of polymer science (2020), 2024-04, Vol.62 (8), p.1673-1685

2024

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Synthesis of sulfhydryl‐functionalized polymers for the efficient adsorption of Pd2+ and Ag+ from aqueous solution

Journal of polymer science (2020), 2024-04, Vol.62 (8), p.1673-1685

2024

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Synthesis of Hollow BiVO4/Ag Composite Microspheres and Their Photocatalytic and Surface-Enhanced Raman Scattering Properties

ChemPlusChem (Weinheim, Germany), 2015-05, Vol.80 (5), p.871-877

2015

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Synthesis of Hollow BiVO 4 /Ag Composite Microspheres and Their Photocatalytic and Surface-Enhanced Raman Scattering Properties

ChemPlusChem (Weinheim, Germany), 2015-05, Vol.80 (5), p.871-877

2015

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Multiscale enhanced sampling of intrinsically disordered protein conformations

Topology-based modeling of intrinsically disordered proteins: Balancing intrinsic folding and intermolecular interactions

Can molecular dynamics simulations provide high-resolution refinement of protein structure?

Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria

Necessity of high-resolution for coarse-grained modeling of flexible proteins

Accelerating atomistic simulations of proteins using multiscale enhanced sampling with independent tempering

Replica exchange with guided annealing for accelerated sampling of disordered protein conformations

Efficacy of independence sampling in replica exchange simulations of ordered and disordered proteins

Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)1

FoldGPCR: Structure prediction protocol for the transmembrane domain of G protein-coupled receptors from class A

Application of torsion angle molecular dynamics for efficient sampling of protein conformations

Structural characterization of two pore-forming peptides: Consequences of introducing a C-terminal tryptophan

The role of astrocytes in oxidative stress of central nervous system: A mixed blessing

Novel bioresource‐based poly(3‐Hydroxybutyrate‐co‐4‐Hydroxybutyrate)/poly(LacticAcid) blend fibers with high strength and toughness via melt‐spinning

FGF8 and BMP2 mediated dynamic regulation of dental mesenchyme proliferation and differentiation via Lhx8/Suv39h1 complex

Bioactivity and safety of B7‐H3‐targeted chimeric antigen receptor T cells against anaplastic meningioma

Promoting H2 Activation over Molybdenum Carbide by Modulation of Metal‐Support Interaction for Efficient Catalytic Hydrogenation

Promoting H 2 Activation over Molybdenum Carbide by Modulation of Metal‐Support Interaction for Efficient Catalytic Hydrogenation

Synthesis of sulfhydryl‐functionalized polymers for the efficient adsorption of Pd 2+ and Ag + from aqueous solution

Synthesis of sulfhydryl‐functionalized polymers for the efficient adsorption of Pd2+ and Ag+ from aqueous solution

Synthesis of Hollow BiVO4/Ag Composite Microspheres and Their Photocatalytic and Surface-Enhanced Raman Scattering Properties

Synthesis of Hollow BiVO 4 /Ag Composite Microspheres and Their Photocatalytic and Surface-Enhanced Raman Scattering Properties

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