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Advances in coarse-grained modeling of macromolecular complexes

Current opinion in structural biology, 2018-10, Vol.52, p.119-126

2018

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On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-Doped Graphene

Journal of physical chemistry. C, 2013-03, Vol.117 (11), p.5610-5616

2013

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Tailoring the performance of graphene-based supercapacitors using topological defects: A theoretical assessment

Carbon (New York), 2014-03, Vol.68, p.734-741

2014

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TRIM5α self-assembly and compartmentalization of the HIV-1 viral capsid

Nature communications, 2020-03, Vol.11 (1), p.1307-1307, Article 1307

2020

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Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core

Nature communications, 2022-02, Vol.13 (1), p.1002-12, Article 1002

2022

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Relative contributions of quantum and double layer capacitance to the supercapacitor performance of carbon nanotubes in an ionic liquid

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (45), p.19741-19747

2013

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On the influence of polarization effects in predicting the interfacial structure and capacitance of graphene-like electrodes in ionic liquids

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024701-024701

2015

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Impact of Graphene Edges on Enhancing the Performance of Electrochemical Double Layer Capacitors

Journal of physical chemistry. C, 2014-09, Vol.118 (38), p.21770-21777

2014

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Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane

eLife, 2022-05, Vol.11

2022

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What is the thermal conductivity limit of silicon germanium alloys?

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (29), p.19544-19548

2016

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Bottom-up Coarse-Graining: Principles and Perspectives

Journal of chemical theory and computation, 2022-10, Vol.18 (10), p.5759-5791

2022

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Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability

The journal of physical chemistry letters, 2019-08, Vol.10 (16), p.4549-4557

2019

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A multiscale coarse-grained model of the SARS-CoV-2 virion

Biophysical journal, 2021-03, Vol.120 (6), p.1097-1104

2021

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Inositol Hexakisphosphate (IP6) Accelerates Immature HIV‑1 Gag Protein Assembly toward Kinetically Trapped Morphologies

Journal of the American Chemical Society, 2022-06, Vol.144 (23), p.10417-10428

2022

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A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model

The Journal of chemical physics, 2021-01, Vol.154 (4), p.044104-044104

2021

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Lipid-Composition-Mediated Forces Can Stabilize Tubular Assemblies of I-BAR Proteins

Biophysical journal, 2021-01, Vol.120 (1), p.46-54

2021

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A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature

The Journal of chemical physics, 2021-01, Vol.154 (4), p.044105-044105

2021

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Charging Rate Dependence of Ion Migration and Stagnation in Ionic-Liquid-Filled Carbon Nanopores

Journal of physical chemistry. C, 2016-11, Vol.120 (43), p.24560-24567

2016

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Preservation of HIV‑1 Gag Helical Bundle Symmetry by Bevirimat Is Central to Maturation Inhibition

Journal of the American Chemical Society, 2021-11, Vol.143 (45), p.19137-19148

2021

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Thickness-Dependent Dielectric Constant of Few-Layer In2Se3 Nanoflakes

Nano letters, 2015-12, Vol.15 (12), p.8136-8140

2015

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Formalizing Coarse-Grained Representations of Anisotropic Interactions at Multimeric Protein Interfaces Using Virtual Sites

The journal of physical chemistry. B, 2024-02, Vol.128 (6), p.1394-1406

2024

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Curvature Effects on the Interfacial Capacitance of Carbon Nanotubes in an Ionic Liquid

Journal of physical chemistry. C, 2013-11, Vol.117 (45), p.23539-23546

2013

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The Bright Future for Electrode Materials of Energy Devices: Highly Conductive Porous Na-Embedded Carbon

Nano letters, 2016-12, Vol.16 (12), p.8029-8033

2016

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Immature HIV-1 assembles from Gag dimers leaving partial hexamers at lattice edges as potential substrates for proteolytic maturation

Proceedings of the National Academy of Sciences - PNAS, 2021-01, Vol.118 (3), p.1

2021

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Critical mechanistic features of HIV-1 viral capsid assembly

Science advances, 2023-01, Vol.9 (1), p.eadd7434-eadd7434

2023

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Advances in coarse-grained modeling of macromolecular complexes

On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-Doped Graphene

Tailoring the performance of graphene-based supercapacitors using topological defects: A theoretical assessment

TRIM5α self-assembly and compartmentalization of the HIV-1 viral capsid

Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core

Relative contributions of quantum and double layer capacitance to the supercapacitor performance of carbon nanotubes in an ionic liquid

On the influence of polarization effects in predicting the interfacial structure and capacitance of graphene-like electrodes in ionic liquids

Impact of Graphene Edges on Enhancing the Performance of Electrochemical Double Layer Capacitors

Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane

What is the thermal conductivity limit of silicon germanium alloys?

Bottom-up Coarse-Graining: Principles and Perspectives

Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability

A multiscale coarse-grained model of the SARS-CoV-2 virion

Inositol Hexakisphosphate (IP6) Accelerates Immature HIV‑1 Gag Protein Assembly toward Kinetically Trapped Morphologies

A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model

Lipid-Composition-Mediated Forces Can Stabilize Tubular Assemblies of I-BAR Proteins

A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature

Charging Rate Dependence of Ion Migration and Stagnation in Ionic-Liquid-Filled Carbon Nanopores

Preservation of HIV‑1 Gag Helical Bundle Symmetry by Bevirimat Is Central to Maturation Inhibition

Thickness-Dependent Dielectric Constant of Few-Layer In2Se3 Nanoflakes

Formalizing Coarse-Grained Representations of Anisotropic Interactions at Multimeric Protein Interfaces Using Virtual Sites

Curvature Effects on the Interfacial Capacitance of Carbon Nanotubes in an Ionic Liquid

The Bright Future for Electrode Materials of Energy Devices: Highly Conductive Porous Na-Embedded Carbon

Immature HIV-1 assembles from Gag dimers leaving partial hexamers at lattice edges as potential substrates for proteolytic maturation

Critical mechanistic features of HIV-1 viral capsid assembly

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