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CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model

Biophysical journal, 2015-11, Vol.109 (10), p.2012-2022

2015

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Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model

Biophysical journal, 2012-05, Vol.102 (9), p.2130-2139

2012

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Bioinformatics-Guided Expansion and Discovery of Graspetides

ACS chemical biology, 2021-12, Vol.16 (12), p.2787-2797

2021

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Hydrogen bonding heterogeneity correlates with protein folding transition state passage time as revealed by data sonification

Proceedings of the National Academy of Sciences - PNAS, 2024-05, Vol.121 (22), p.e2319094121

2024

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Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics

The journal of physical chemistry. B, 2009-03, Vol.113 (11), p.3280-3291

2009

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Can Local Probes Go Global? A Joint Experiment–Simulation Analysis of λ6–85 Folding

The journal of physical chemistry letters, 2016-06, Vol.7 (11), p.1960-1965

2016

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Mapping fast protein folding with multiple-site fluorescent probes

Proceedings of the National Academy of Sciences - PNAS, 2015-06, Vol.112 (26), p.7966-7971

2015

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Efficient sampling of TrkA transmembrane domain dimerization captures functionally distinct structural ensembles

Biophysical journal, 2023-02, Vol.122 (3), p.197a-197a

2023

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Lactaderhin's C1 domain restricts protein's ensemble as it binds to charged membranes

Biophysical journal, 2023-02, Vol.122 (3), p.504a-504a

2023

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C3-OH of Amphotericin B Plays an Important Role in Ion Conductance

Journal of the American Chemical Society, 2015-12, Vol.137 (48), p.15102-15104

2015

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Utility of FRET in studies of membrane protein oligomerization: The concept of the effective dissociation constant

Biophysical journal, 2023-10, Vol.122 (20), p.4113-4120

2023

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TMAO: Protecting proteins from feeling the heat

Biophysical journal, 2023-04, Vol.122 (7), p.1414-1422

2023

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Bioinformatic Mapping of Radical S‑Adenosylmethionine-Dependent Ribosomally Synthesized and Post-Translationally Modified Peptides Identifies New Cα, Cβ, and Cγ-Linked Thioether-Containing Peptides

Journal of the American Chemical Society, 2019-05, Vol.141 (20), p.8228-8238

2019

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In-Cell Protein–Protein Contacts: Transient Interactions in the Crowd

The journal of physical chemistry letters, 2019-09, Vol.10 (18), p.5667-5673

2019

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Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

Cell, 2019-11, Vol.179 (5), p.1098-1111.e23

2019

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In-Cell Dynamics: The Next Focus of All-Atom Simulations

The journal of physical chemistry. B, 2023-11, Vol.127 (46), p.9863-9872

2023

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In silico protein dynamics in the human cytoplasm: Partial folding, misfolding, fold switching, and non‐native interactions

Protein science, 2023-11, Vol.32 (11), p.e4790-n/a

2023

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Impact of the Cellular Environment on Adenosine Triphosphate Conformations

The journal of physical chemistry letters, 2022-10, Vol.13 (42), p.9809-9814

2022

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Extension of the Highly Mobile Membrane Mimetic to Transmembrane Systems through Customized in Silico Solvents

The journal of physical chemistry. B, 2017-04, Vol.121 (15), p.3764-3776

2017

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Can Local Probes Go Global? A Joint Experiment-Simulation Analysis of λ(6-85) Folding

The journal of physical chemistry letters, 2016-06, Vol.7 (11), p.1960-1965

2016

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Lactadherin’s Multistate Binding Predicts Stable Membrane-Bound Conformations of Factors V and VIII’s C Domains

Biochemistry (Easton), 2023-10, Vol.62 (20), p.3020-3032

2023

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Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics

Proceedings of the National Academy of Sciences - PNAS, 2019-03, Vol.116 (12), p.5356-5361

2019

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Coaction of Electrostatic and Hydrophobic Interactions: Dynamic Constraints on Disordered TrkA Juxtamembrane Domain

The journal of physical chemistry. B, 2019-12, Vol.123 (50), p.10709-10717

2019

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Partitioning of Amino Acids into a Model Membrane: Capturing the Interface

The journal of physical chemistry. B, 2014-02, Vol.118 (6), p.1481-1492

2014

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A cancer mutation promotes EphA4 oligomerization and signaling by altering the conformation of the SAM domain

The Journal of biological chemistry, 2021-07, Vol.297 (1), p.100876-100876, Article 100876

2021

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CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model

Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model

Bioinformatics-Guided Expansion and Discovery of Graspetides

Hydrogen bonding heterogeneity correlates with protein folding transition state passage time as revealed by data sonification

Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics

Can Local Probes Go Global? A Joint Experiment–Simulation Analysis of λ6–85 Folding

Mapping fast protein folding with multiple-site fluorescent probes

Efficient sampling of TrkA transmembrane domain dimerization captures functionally distinct structural ensembles

Lactaderhin's C1 domain restricts protein's ensemble as it binds to charged membranes

C3-OH of Amphotericin B Plays an Important Role in Ion Conductance

Utility of FRET in studies of membrane protein oligomerization: The concept of the effective dissociation constant

TMAO: Protecting proteins from feeling the heat

Bioinformatic Mapping of Radical S‑Adenosylmethionine-Dependent Ribosomally Synthesized and Post-Translationally Modified Peptides Identifies New Cα, Cβ, and Cγ-Linked Thioether-Containing Peptides

In-Cell Protein–Protein Contacts: Transient Interactions in the Crowd

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

In-Cell Dynamics: The Next Focus of All-Atom Simulations

In silico protein dynamics in the human cytoplasm: Partial folding, misfolding, fold switching, and non‐native interactions

Impact of the Cellular Environment on Adenosine Triphosphate Conformations

Extension of the Highly Mobile Membrane Mimetic to Transmembrane Systems through Customized in Silico Solvents

Can Local Probes Go Global? A Joint Experiment-Simulation Analysis of λ(6-85) Folding

Lactadherin’s Multistate Binding Predicts Stable Membrane-Bound Conformations of Factors V and VIII’s C Domains

Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics

Coaction of Electrostatic and Hydrophobic Interactions: Dynamic Constraints on Disordered TrkA Juxtamembrane Domain

Partitioning of Amino Acids into a Model Membrane: Capturing the Interface

A cancer mutation promotes EphA4 oligomerization and signaling by altering the conformation of the SAM domain

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