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Structural modeling of peptide toxin–ion channel interactions using RosettaDock

Proteins, structure, function, and bioinformatics, 2023-07, Vol.91 (7), p.872-889

2023

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Structural mechanisms underlying activation of TRPV1 channels by pungent compounds in gingers

British journal of pharmacology, 2019-09, Vol.176 (17), p.3364-3377

2019

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Multipass membrane protein structure prediction using Rosetta

Proteins, structure, function, and bioinformatics, 2006-03, Vol.62 (4), p.1010-1025

2006

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Structural insights into TRPV2 activation by small molecules

Nature communications, 2022-04, Vol.13 (1), p.2334-12, Article 2334

2022

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Energetic landscape of polycystin channel gating

EMBO reports, 2023-07, Vol.24 (7), p.e56783-n/a

2023

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α‐Actinin‐1 promotes activity of the L‐type Ca2+ channel Cav1.2

The EMBO journal, 2020-03, Vol.39 (5), p.n/a

2020

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Single amino acid residue mediates reciprocal specificity in two mosquito odorant receptors

eLife, 2022-12, Vol.11

2022

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Sensitivity to the two peptide bacteriocin plantaricin EF is dependent on CorC, a membrane‐bound, magnesium/cobalt efflux protein

MicrobiologyOpen (Weinheim), 2019-11, Vol.8 (11), p.e827-n/a

2019

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Antibodies and venom peptides: new modalities for ion channels

Nature reviews. Drug discovery, 2019-05, Vol.18 (5), p.339-357

2019

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α‐Actinin‐1 promotes activity of the L‐type Ca2+ channel Cav1.2

The EMBO journal, 2020-09, Vol.39 (18), p.e106171-n/a

2020

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An Unorthodox Mechanism Underlying Voltage Sensitivity of TRPV1 Ion Channel

Advanced science, 2020-10, Vol.7 (20), p.2000575-n/a

2020

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Computational design of peptides to target NaV1.7 channel with high potency and selectivity for the treatment of pain

eLife, 2022-12, Vol.11

2022

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Structural mechanism underlying capsaicin binding and activation of the TRPV1 ion channel

Nature chemical biology, 2015-07, Vol.11 (7), p.518-524

2015

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A novel tarantula toxin stabilizes the deactivated voltage sensor of bacterial sodium channel

The FASEB journal, 2017-07, Vol.31 (7), p.3167-3178

2017

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De Novo Design of Peptidic Positive Allosteric Modulators Targeting TRPV1 with Analgesic Effects

Advanced science, 2021-09, Vol.8 (17), p.e2101716-n/a

2021

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The conformational wave in capsaicin activation of transient receptor potential vanilloid 1 ion channel

Nature communications, 2018-07, Vol.9 (1), p.2879-9, Article 2879

2018

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Tarantula toxins use common surfaces for interacting with Kv and ASIC ion channels

eLife, 2015-05, Vol.4, p.e06774

2015

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Structural basis for gating charge movement in the voltage sensor of a sodium channel

Proceedings of the National Academy of Sciences - PNAS, 2012-01, Vol.109 (2), p.E93-E102

2012

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Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel

Proceedings of the National Academy of Sciences - PNAS, 2014-09, Vol.111 (36), p.13057-13062

2014

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An artificial intelligence accelerated virtual screening platform for drug discovery

Nature communications, 2024-09, Vol.15 (1), p.7761-14, Article 7761

2024

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An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations

The Journal of general physiology, 2012-12, Vol.140 (6), p.587-594

2012

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Voltage Sensor Conformations in the Open and Closed States in ROSETTA Structural Models of K⁺ Channels

Proceedings of the National Academy of Sciences - PNAS, 2006-05, Vol.103 (19), p.7292-7297

2006

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New capsaicin analogs as molecular rulers to define the permissive conformation of the mouse TRPV1 ligand-binding pocket

eLife, 2020-11, Vol.9

2020

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Molecular Interactions in the Voltage Sensor Controlling Gating Properties of Ca V Calcium Channels

Structure (London), 2016-02, Vol.24 (2), p.261-271

2016

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Mapping the receptor site for α-scorpion toxins on a Na+ channel voltage sensor

Proceedings of the National Academy of Sciences - PNAS, 2011-09, Vol.108 (37), p.15426-15431

2011

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Structural modeling of peptide toxin–ion channel interactions using RosettaDock

Structural mechanisms underlying activation of TRPV1 channels by pungent compounds in gingers

Multipass membrane protein structure prediction using Rosetta

Structural insights into TRPV2 activation by small molecules

Energetic landscape of polycystin channel gating

α‐Actinin‐1 promotes activity of the L‐type Ca2+ channel Cav1.2

Single amino acid residue mediates reciprocal specificity in two mosquito odorant receptors

Sensitivity to the two peptide bacteriocin plantaricin EF is dependent on CorC, a membrane‐bound, magnesium/cobalt efflux protein

Antibodies and venom peptides: new modalities for ion channels

α‐Actinin‐1 promotes activity of the L‐type Ca2+ channel Cav1.2

An Unorthodox Mechanism Underlying Voltage Sensitivity of TRPV1 Ion Channel

Computational design of peptides to target NaV1.7 channel with high potency and selectivity for the treatment of pain

Structural mechanism underlying capsaicin binding and activation of the TRPV1 ion channel

A novel tarantula toxin stabilizes the deactivated voltage sensor of bacterial sodium channel

De Novo Design of Peptidic Positive Allosteric Modulators Targeting TRPV1 with Analgesic Effects

The conformational wave in capsaicin activation of transient receptor potential vanilloid 1 ion channel

Tarantula toxins use common surfaces for interacting with Kv and ASIC ion channels

Structural basis for gating charge movement in the voltage sensor of a sodium channel

Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel

An artificial intelligence accelerated virtual screening platform for drug discovery

An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations

Voltage Sensor Conformations in the Open and Closed States in ROSETTA Structural Models of K⁺ Channels

New capsaicin analogs as molecular rulers to define the permissive conformation of the mouse TRPV1 ligand-binding pocket

Molecular Interactions in the Voltage Sensor Controlling Gating Properties of Ca V Calcium Channels

Mapping the receptor site for α-scorpion toxins on a Na+ channel voltage sensor

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