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HyRes: a coarse-grained model for multi-scale enhanced sampling of disordered protein conformations

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (48), p.32421-32432

2017

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Different Anomeric Sugar Bound States of Maltose Binding Protein Resolved by a Cytolysin A Nanopore Tweezer

ACS nano, 2020-02, Vol.14 (2), p.1727-1737

2020

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Enhanced Sampling of Intrinsic Structural Heterogeneity of the BH3-Only Protein Binding Interface of Bcl-xL

The journal of physical chemistry. B, 2017-10, Vol.121 (39), p.9160-9168

2017

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Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (4), p.471-481

2008

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Residual Structures and Transient Long-Range Interactions of p53 Transactivation Domain: Assessment of Explicit Solvent Protein Force Fields

Journal of chemical theory and computation, 2019-08, Vol.15 (8), p.4708-4720

2019

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Branched Oligopeptides Form Nanocapsules with Lipid Vesicle Characteristics

Langmuir, 2013-11, Vol.29 (47), p.14648-14654

2013

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Accelerate Sampling in Atomistic Energy Landscapes Using Topology-Based Coarse-Grained Models

Journal of chemical theory and computation, 2014-03, Vol.10 (3), p.918-923

2014

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Re-Balancing Replica Exchange with Solute Tempering for Sampling Dynamic Protein Conformations

Journal of chemical theory and computation, 2023-03, Vol.19 (5), p.1602-1614

2023

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Effective Approximation of Molecular Volume Using Atom-Centered Dielectric Functions in Generalized Born Models

Journal of chemical theory and computation, 2010-09, Vol.6 (9), p.2790-2803

Chen, Jianhan

2010

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Hydrophobic dewetting in gating and regulation of transmembrane protein ion channels

The Journal of chemical physics, 2020-09, Vol.153 (11), p.110901-110901

2020

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Efficiency of Adaptive Temperature-Based Replica Exchange for Sampling Large-Scale Protein Conformational Transitions

Journal of chemical theory and computation, 2013-06, Vol.9 (6), p.2849-2856

2013

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Using Metadynamics To Explore the Free Energy of Dewetting in Biologically Relevant Nanopores

The journal of physical chemistry. B, 2022-09, Vol.126 (34), p.6428-6437

2022

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Modulation of Amyloid-β42 Conformation by Small Molecules Through Nonspecific Binding

Journal of chemical theory and computation, 2019-10, Vol.15 (10), p.5169-5174

2019

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The Levinthal Problem in Amyloid Aggregation: Sampling of a Flat Reaction Space

The journal of physical chemistry. B, 2017-02, Vol.121 (7), p.1576-1586

2017

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Organization and Structure of Branched Amphipathic Oligopeptide Bilayers

Langmuir, 2016-09, Vol.32 (38), p.9883-9891

2016

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Revisiting the Carboxylic Acid Dimers in Aqueous Solution: Interplay of Hydrogen Bonding, Hydrophobic Interactions, and Entropy

The journal of physical chemistry. B, 2008-01, Vol.112 (2), p.242-249

2008

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An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

Journal of chemical theory and computation, 2009-10, Vol.5 (10), p.2909-2923

2009

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Multiscale filter diagonalization method for spectral analysis of noisy data with nonlocalized features

The Journal of chemical physics, 2000-03, Vol.112 (10), p.4429-4437

2000

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Computing Energy Levels by Inversion of Imaginary-Time Cross-Correlation Functions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-09, Vol.107 (37), p.7175-7180

2003

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N-rich porous organic polymers based on Schiff base reaction for CO2 capture and mercury(II) adsorption

Journal of colloid and interface science, 2021-04, Vol.587, p.121-130

2021

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Engineering MMP‑2 Activated Nanoparticles Carrying B7-H3 Bispecific Antibodies for Ferroptosis-Enhanced Glioblastoma Immunotherapy

ACS nano, 2023-05, Vol.17 (10), p.9126-9139

2023

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High-performance flexible and integratable MEG devices from sulfonated carbon solid acids containing strong Brønsted acid sites

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-11, Vol.9 (43), p.24488-24494

2021

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The initiation and propagation of detonation in supersonic combustible flow with boundary layer

International journal of hydrogen energy, 2018-07, Vol.43 (27), p.12460-12472

2018

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Macroporous crosslinked polydivinylbenzene/polyacryldiethylenetriamine (PDVB/PADETA) interpenetrating polymer networks (IPNs) and their efficient adsorption to o-aminobenzoic acid from aqueous solutions

Journal of colloid and interface science, 2014-09, Vol.429 (429), p.83-87

2014

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Adsorptive separation studies of ethane–methane and methane–nitrogen systems using mesoporous carbon

Journal of colloid and interface science, 2013-03, Vol.394, p.445-450

2013

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HyRes: a coarse-grained model for multi-scale enhanced sampling of disordered protein conformations

Different Anomeric Sugar Bound States of Maltose Binding Protein Resolved by a Cytolysin A Nanopore Tweezer

Enhanced Sampling of Intrinsic Structural Heterogeneity of the BH3-Only Protein Binding Interface of Bcl-xL

Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions

Residual Structures and Transient Long-Range Interactions of p53 Transactivation Domain: Assessment of Explicit Solvent Protein Force Fields

Branched Oligopeptides Form Nanocapsules with Lipid Vesicle Characteristics

Accelerate Sampling in Atomistic Energy Landscapes Using Topology-Based Coarse-Grained Models

Re-Balancing Replica Exchange with Solute Tempering for Sampling Dynamic Protein Conformations

Effective Approximation of Molecular Volume Using Atom-Centered Dielectric Functions in Generalized Born Models

Hydrophobic dewetting in gating and regulation of transmembrane protein ion channels

Efficiency of Adaptive Temperature-Based Replica Exchange for Sampling Large-Scale Protein Conformational Transitions

Using Metadynamics To Explore the Free Energy of Dewetting in Biologically Relevant Nanopores

Modulation of Amyloid-β42 Conformation by Small Molecules Through Nonspecific Binding

The Levinthal Problem in Amyloid Aggregation: Sampling of a Flat Reaction Space

Organization and Structure of Branched Amphipathic Oligopeptide Bilayers

Revisiting the Carboxylic Acid Dimers in Aqueous Solution: Interplay of Hydrogen Bonding, Hydrophobic Interactions, and Entropy

An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

Multiscale filter diagonalization method for spectral analysis of noisy data with nonlocalized features

Computing Energy Levels by Inversion of Imaginary-Time Cross-Correlation Functions

N-rich porous organic polymers based on Schiff base reaction for CO2 capture and mercury(II) adsorption

Engineering MMP‑2 Activated Nanoparticles Carrying B7-H3 Bispecific Antibodies for Ferroptosis-Enhanced Glioblastoma Immunotherapy

High-performance flexible and integratable MEG devices from sulfonated carbon solid acids containing strong Brønsted acid sites

The initiation and propagation of detonation in supersonic combustible flow with boundary layer

Macroporous crosslinked polydivinylbenzene/polyacryldiethylenetriamine (PDVB/PADETA) interpenetrating polymer networks (IPNs) and their efficient adsorption to o-aminobenzoic acid from aqueous solutions

Adsorptive separation studies of ethane–methane and methane–nitrogen systems using mesoporous carbon

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