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Anesthesia, Coming of Age in the World of Modern In Silico Drug Design

Anesthesiology (Philadelphia), 2023-02, Vol.138 (2), p.129-131

Bertaccini, Edward J

2023

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Stabilization of the GluCl Ligand-Gated Ion Channel in the Presence and Absence of Ivermectin

Biophysical journal, 2013-08, Vol.105 (3), p.640-647

2013

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Molecular mechanism for the dual alcohol modulation of Cys-loop receptors

PLoS computational biology, 2012-10, Vol.8 (10), p.e1002710-e1002710

2012

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A double-blind, randomized comparison of IV lorazepam versus midazolam for Sedation of ICU patients via a pharmacologic model

Anesthesiology (Philadelphia), 2001-08, Vol.95 (2), p.286-298

2001

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Insights into the Nature of Anesthetic–Protein Interactions: An ONIOM Study

The journal of physical chemistry. B, 2015-10, Vol.119 (40), p.12771-12782

2015

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The Molecular Mechanisms of Anesthetic Action: Updates and Cutting Edge Developments from the Field of Molecular Modeling

Pharmaceuticals, 2010-07, Vol.3 (7), p.2178-2196

Bertaccini, Edward J

2010

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Disruption of an intersubunit electrostatic bond is a critical step in glycine receptor activation

Proceedings of the National Academy of Sciences - PNAS, 2010-04, Vol.107 (17), p.7987-7992

2010

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The Role of the Hydroxyl Group in Propofol–Protein Target Recognition: Insights from ONIOM Studies

The journal of physical chemistry. B, 2017-06, Vol.121 (24), p.5883-5896

2017

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Assessment of Homology Templates and an Anesthetic Binding Site within the γ-Aminobutyric Acid Receptor

Anesthesiology (Philadelphia), 2013-11, Vol.119 (5), p.1087-1095

2013

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Modulation of α1β3γ2 GABAA receptors expressed in X. laevis oocytes using a propofol photoswitch tethered to the transmembrane helix

Proceedings of the National Academy of Sciences - PNAS, 2021-02, Vol.118 (8)

2021

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A newly developed anesthetic based on a unique chemical core

Proceedings of the National Academy of Sciences - PNAS, 2019-07, Vol.116 (31), p.15706-15715

2019

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An In Vitro Model for Identifying Cardiac Side Effects of Anesthetics

Anesthesia and analgesia, 2020-01, Vol.130 (1), p.e1-e4

2020

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Modulation of α1β3γ2 GABA A receptors expressed in X. laevis oocytes using a propofol photoswitch tethered to the transmembrane helix

Proceedings of the National Academy of Sciences - PNAS, 2021-02, Vol.118 (8)

2021

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Structural Models of Ligand-Gated Ion Channels: Sites of Action for Anesthetics and Ethanol

Alcoholism, clinical and experimental research, 2014-03, Vol.38 (3), p.595-603

2014

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Molecular Modeling of a Tandem Two Pore Domain Potassium Channel Reveals a Putative Binding Site for General Anesthetics

ACS chemical neuroscience, 2014-12, Vol.5 (12), p.1246-1252

2014

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Design and Implementation of a Perioperative Surgical Home at a Veterans Affairs Hospital

Seminars in Cardiothoracic and Vascular Anesthesia, 2016-06, Vol.20 (2), p.133-140

2016

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Modeling Anesthetic Binding Sites within the Glycine Alpha One Receptor Based on Prokaryotic Ion Channel Templates: The Problem with TM4

Journal of chemical information and modeling, 2010-12, Vol.50 (12), p.2248-2255

2010

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Evidence that ethanol acts on a target in Loop 2 of the extracellular domain of α1 glycine receptors

Journal of neurochemistry, 2007-09, Vol.102 (6), p.2097-2109

2007

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The common chemical motifs within anesthetic binding sites

Anesthesia and analgesia, 2007-02, Vol.104 (2), p.318-324

2007

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Evidence that ethanol acts on a target in Loop 2 of the extracellular domain of alpha 1 glycine receptors

Journal of neurochemistry, 2007-09, Vol.102 (6), p.2097-2109

2007

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Identification of an Inhibitory Alcohol Binding Site in GABAA ρ1 Receptors

ACS chemical neuroscience, 2016-01, Vol.7 (1), p.100-108

2016

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Normal-Mode Analysis of the Glycine Alpha1 Receptor by Three Separate Methods

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1572-1579

2007

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Effect of Cobratoxin Binding on the Normal Mode Vibration within Acetylcholine Binding Protein

Journal of chemical information and computer sciences, 2008-04, Vol.48 (4), p.855-860

2008

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Induced changes in protein receptors conferring resistance to anesthetics

Current opinion in anaesthesiology, 2012-08, Vol.25 (4), p.405-410

2012

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Normal Mode Gating Motions of a Ligand-Gated Ion Channel Persist in a Fully Hydrated Lipid Bilayer Model

ACS chemical neuroscience, 2010-08, Vol.1 (8), p.552-558

2010

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Anesthesia, Coming of Age in the World of Modern In Silico Drug Design

Stabilization of the GluCl Ligand-Gated Ion Channel in the Presence and Absence of Ivermectin

Molecular mechanism for the dual alcohol modulation of Cys-loop receptors

A double-blind, randomized comparison of IV lorazepam versus midazolam for Sedation of ICU patients via a pharmacologic model

Insights into the Nature of Anesthetic–Protein Interactions: An ONIOM Study

The Molecular Mechanisms of Anesthetic Action: Updates and Cutting Edge Developments from the Field of Molecular Modeling

Disruption of an intersubunit electrostatic bond is a critical step in glycine receptor activation

The Role of the Hydroxyl Group in Propofol–Protein Target Recognition: Insights from ONIOM Studies

Assessment of Homology Templates and an Anesthetic Binding Site within the γ-Aminobutyric Acid Receptor

Modulation of α1β3γ2 GABAA receptors expressed in X. laevis oocytes using a propofol photoswitch tethered to the transmembrane helix

A newly developed anesthetic based on a unique chemical core

An In Vitro Model for Identifying Cardiac Side Effects of Anesthetics

Modulation of α1β3γ2 GABA A receptors expressed in X. laevis oocytes using a propofol photoswitch tethered to the transmembrane helix

Structural Models of Ligand-Gated Ion Channels: Sites of Action for Anesthetics and Ethanol

Molecular Modeling of a Tandem Two Pore Domain Potassium Channel Reveals a Putative Binding Site for General Anesthetics

Design and Implementation of a Perioperative Surgical Home at a Veterans Affairs Hospital

Modeling Anesthetic Binding Sites within the Glycine Alpha One Receptor Based on Prokaryotic Ion Channel Templates: The Problem with TM4

Evidence that ethanol acts on a target in Loop 2 of the extracellular domain of α1 glycine receptors

The common chemical motifs within anesthetic binding sites

Evidence that ethanol acts on a target in Loop 2 of the extracellular domain of alpha 1 glycine receptors

Identification of an Inhibitory Alcohol Binding Site in GABAA ρ1 Receptors

Normal-Mode Analysis of the Glycine Alpha1 Receptor by Three Separate Methods

Effect of Cobratoxin Binding on the Normal Mode Vibration within Acetylcholine Binding Protein

Induced changes in protein receptors conferring resistance to anesthetics

Normal Mode Gating Motions of a Ligand-Gated Ion Channel Persist in a Fully Hydrated Lipid Bilayer Model

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