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Melittin can permeabilize membranes via large transient pores

Nature communications, 2024-08, Vol.15 (1), p.7281-13

2024

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Quantitative Analysis of the Enhanced Permeation and Retention (EPR) Effect

PloS one, 2015-05, Vol.10 (5), p.e0123461-e0123461

2015

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Spontaneous formation of structurally diverse membrane channel architectures from a single antimicrobial peptide

Nature communications, 2016-11, Vol.7 (1), p.13535-13535, Article 13535

2016

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Conformational States of Melittin at a Bilayer Interface

Biophysical journal, 2013-03, Vol.104 (6), p.L12-L14

2013

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Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (16), p.6364-6369

2013

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Reorientation and Dimerization of the Membrane-Bound Antimicrobial Peptide PGLa from Microsecond All-Atom MD Simulations

Biophysical journal, 2012-08, Vol.103 (3), p.472-482

2012

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Computational modeling of membrane proteins

Proteins, structure, function, and bioinformatics, 2015-01, Vol.83 (1), p.1-24

2015

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Spontaneous transmembrane helix insertion thermodynamically mimics translocon-guided insertion

Nature communications, 2014-09, Vol.5 (1), p.4863-4863, Article 4863

2014

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An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules

Scientific reports, 2019-04, Vol.9 (1), p.6117, Article 6117

2019

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In Silico Partitioning and Transmembrane Insertion of Hydrophobic Peptides under Equilibrium Conditions

Journal of the American Chemical Society, 2011-10, Vol.133 (39), p.15487-15495

2011

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A least-squares-fitting procedure for an efficient preclinical ranking of passive transport across the blood–brain barrier endothelium

Journal of computer-aided molecular design, 2023-11, Vol.37 (11), p.537-549

2023

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Lipid Headgroups Modulate Membrane Insertion of pHLIP Peptide

Biophysical journal, 2015-02, Vol.108 (4), p.791-794

2015

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Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole

Nature communications, 2024-09, Vol.15 (1), p.8426-14, Article 8426

2024

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Molecular Dynamics Simulations Are Redefining Our View of Peptides Interacting with Biological Membranes

Accounts of chemical research, 2018-05, Vol.51 (5), p.1106-1116

2018

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Unraveling the Molecular Dance: Insights into TREM2/DAP12 Complex Formation in Alzheimer’s Disease through Molecular Dynamics Simulations

ACS omega, 2024-07, Vol.9 (26), p.28715-28725

2024

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Masking the transmembrane region of the amyloid β precursor protein as a safe means to lower amyloid β production

Alzheimer's & dementia : translational research & clinical interventions, 2023-10, Vol.9 (4), p.e12428-n/a

2023

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Membrane proteins bind lipids selectively to modulate their structure and function

Nature (London), 2014-06, Vol.510 (7503), p.172-175

2014

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Integrated Design of a Membrane‐Lytic Peptide‐Based Intravenous Nanotherapeutic Suppresses Triple‐Negative Breast Cancer

Advanced science, 2022-05, Vol.9 (13), p.e2105506-n/a

2022

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Atomistic Model of Solute Transport across the Blood–Brain Barrier

ACS omega, 2022-01, Vol.7 (1), p.1100-1112

2022

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Coarse grained antimicrobial coacervated nanoparticle dynamics

Biophysical journal, 2023-02, Vol.122 (3), p.371a-371a

2023

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Properties of integral membrane protein structures: Derivation of an implicit membrane potential

Proteins, structure, function, and bioinformatics, 2005-05, Vol.59 (2), p.252-265

2005

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Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide

Journal of the American Chemical Society, 2019-03, Vol.141 (12), p.4839-4848

2019

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A Generalized Born Implicit-Membrane Representation Compared to Experimental Insertion Free Energies

Biophysical journal, 2007-04, Vol.92 (7), p.2338-2349

2007

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Modeling Substrate Entry into the P‑Glycoprotein Efflux Pump at the Blood–Brain Barrier

Journal of medicinal chemistry, 2023-12, Vol.66 (24), p.16615-16627

2023

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Achieving anticancer peptides: Protein-lipid interactions in breast cancer models

Biophysical journal, 2023-02, Vol.122 (3), p.232a-232a

2023

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Melittin can permeabilize membranes via large transient pores

Quantitative Analysis of the Enhanced Permeation and Retention (EPR) Effect

Spontaneous formation of structurally diverse membrane channel architectures from a single antimicrobial peptide

Conformational States of Melittin at a Bilayer Interface

Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel

Reorientation and Dimerization of the Membrane-Bound Antimicrobial Peptide PGLa from Microsecond All-Atom MD Simulations

Computational modeling of membrane proteins

Spontaneous transmembrane helix insertion thermodynamically mimics translocon-guided insertion

An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules

In Silico Partitioning and Transmembrane Insertion of Hydrophobic Peptides under Equilibrium Conditions

A least-squares-fitting procedure for an efficient preclinical ranking of passive transport across the blood–brain barrier endothelium

Lipid Headgroups Modulate Membrane Insertion of pHLIP Peptide

Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole

Molecular Dynamics Simulations Are Redefining Our View of Peptides Interacting with Biological Membranes

Unraveling the Molecular Dance: Insights into TREM2/DAP12 Complex Formation in Alzheimer’s Disease through Molecular Dynamics Simulations

Masking the transmembrane region of the amyloid β precursor protein as a safe means to lower amyloid β production

Membrane proteins bind lipids selectively to modulate their structure and function

Integrated Design of a Membrane‐Lytic Peptide‐Based Intravenous Nanotherapeutic Suppresses Triple‐Negative Breast Cancer

Atomistic Model of Solute Transport across the Blood–Brain Barrier

Coarse grained antimicrobial coacervated nanoparticle dynamics

Properties of integral membrane protein structures: Derivation of an implicit membrane potential

Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide

A Generalized Born Implicit-Membrane Representation Compared to Experimental Insertion Free Energies

Modeling Substrate Entry into the P‑Glycoprotein Efflux Pump at the Blood–Brain Barrier

Achieving anticancer peptides: Protein-lipid interactions in breast cancer models

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