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Structural insight into toxin secretion by contact-dependent growth inhibition transporters

eLife, 2020-10, Vol.9

2020

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Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations

The Journal of general physiology, 2013-10, Vol.142 (4), p.465-475

2013

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The β-barrel assembly machinery in motion

Nature reviews. Microbiology, 2017-04, Vol.15 (4), p.197-204

2017

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Reconciling the Roles of Kinetic and Thermodynamic Factors in Membrane–Protein Insertion

Journal of the American Chemical Society, 2013-02, Vol.135 (6), p.2291-2297

2013

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Molecular Dynamics Reveals Altered Interactions between Belzutifan and HIF-2 with Natural Variant G323E or Proximal Phosphorylation at T324

ACS omega, 2024-09, Vol.9 (36), p.37843-37855

2024

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Thicket and Mesh: How the Outer Membrane Can Resist Tension Imposed by the Cell Wall

The journal of physical chemistry. B, 2024-06, Vol.128 (22), p.5371-5377

2024

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Seeing is believing: Illuminating the Gram-negative outer membrane with molecular dynamics simulations

Current opinion in structural biology, 2024-08, Vol.87, p.102828, Article 102828

2024

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Tyrosine, cysteine, and proton coupled electron transfer in a ribonucleotide reductase-inspired beta hairpin maquette

Chemical communications (Cambridge, England), 2019, Vol.55 (63), p.9399-942

2019

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A Novel Approach to Simulating the Gating Transitions of Mechanosensitive Channels

Biophysical journal, 2021-01, Vol.120 (2), p.185-186

Gumbart, James C.

2021

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Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.794-802

2013

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The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

The journal of physical chemistry. B, 2015-01, Vol.119 (3), p.1129-1151

2015

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Inward-facing glycine residues create sharp turns in β-barrel membrane proteins

Biophysical journal, 2023-02, Vol.122 (3), p.55a-55a

2023

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Thicket and mesh: Understanding turgor pressure resistance of outer membrane-cell wall system

Biophysical journal, 2023-02, Vol.122 (3), p.362a-362a

2023

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Preparing Membrane Proteins for Simulation Using CHARMM-GUI

Methods in molecular biology (Clifton, N.J.), 2021-01, Vol.2302, p.237

2021

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Efficient Determination of Protein–Protein Standard Binding Free Energies from First Principles

Journal of chemical theory and computation, 2013-08, Vol.9 (8), p.3789-3798

2013

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Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62

Nature structural & molecular biology, 2021-02, Vol.28 (2), p.162-172

2021

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Understanding Virus Structure and Dynamics through Molecular Simulations

Journal of chemical theory and computation, 2023-06, Vol.19 (11), p.3025-3036

2023

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The Role of Extracellular Loops in the Folding of Outer Membrane Protein X (OmpX) of Escherichia coli

Frontiers in molecular biosciences, 2022-07, Vol.9, p.918480-918480

2022

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BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations

Journal of chemical information and modeling, 2018-03, Vol.58 (3), p.556-560

2018

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Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding

Biophysical journal, 2023-07, Vol.122 (14), p.2988-2995

2023

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Structural insight into the biogenesis of β-barrel membrane proteins

Nature (London), 2013-09, Vol.501 (7467), p.385-390

2013

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From simple to complex: Reconstructing all-atom structures from coarse-grained models using cg2all

Structure (London), 2024-01, Vol.32 (1), p.5-7

2024

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Modeling intermediates of BamA folding an outer membrane protein

Biophysical journal, 2022-09, Vol.121 (17), p.3242-3252

2022

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ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV

Chemical communications (Cambridge, England), 2021-06, Vol.57 (48), p.5949-5952

2021

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Structural basis of mitochondrial protein import by the TIM23 complex

Nature (London), 2023-09, Vol.621 (7979), p.620-626

2023

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Structural insight into toxin secretion by contact-dependent growth inhibition transporters

Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations

The β-barrel assembly machinery in motion

Reconciling the Roles of Kinetic and Thermodynamic Factors in Membrane–Protein Insertion

Molecular Dynamics Reveals Altered Interactions between Belzutifan and HIF-2 with Natural Variant G323E or Proximal Phosphorylation at T324

Thicket and Mesh: How the Outer Membrane Can Resist Tension Imposed by the Cell Wall

Seeing is believing: Illuminating the Gram-negative outer membrane with molecular dynamics simulations

Tyrosine, cysteine, and proton coupled electron transfer in a ribonucleotide reductase-inspired beta hairpin maquette

A Novel Approach to Simulating the Gating Transitions of Mechanosensitive Channels

Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

Inward-facing glycine residues create sharp turns in β-barrel membrane proteins

Thicket and mesh: Understanding turgor pressure resistance of outer membrane-cell wall system

Preparing Membrane Proteins for Simulation Using CHARMM-GUI

Efficient Determination of Protein–Protein Standard Binding Free Energies from First Principles

Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62

Understanding Virus Structure and Dynamics through Molecular Simulations

The Role of Extracellular Loops in the Folding of Outer Membrane Protein X (OmpX) of Escherichia coli

BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations

Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding

Structural insight into the biogenesis of β-barrel membrane proteins

From simple to complex: Reconstructing all-atom structures from coarse-grained models using cg2all

Modeling intermediates of BamA folding an outer membrane protein

ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV

Structural basis of mitochondrial protein import by the TIM23 complex

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