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High-potency ligands for DREADD imaging and activation in rodents and monkeys

Nature communications, 2019-10, Vol.10 (1), p.4627-12, Article 4627

2019

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Identification of a putative binding site critical for general anesthetic activation of TRPA1

Proceedings of the National Academy of Sciences - PNAS, 2017-04, Vol.114 (14), p.3762-3767

2017

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The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter

Nature communications, 2020-03, Vol.11 (1), p.1491-12, Article 1491

2020

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Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanism

Chemical communications (Cambridge, England), 2016-01, Vol.52 (4), p.669-672

2016

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Pharmacological profiling of sigma 1 receptor ligands by novel receptor homomer assays

Neuropharmacology, 2018-05, Vol.133, p.264-275

2018

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Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers

Chemistry : a European journal, 2017-03, Vol.23 (15), p.3605-3615

2017

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Incorporation of Multiple β2‑Hydroxy Acids into a Protein In Vivo Using an Orthogonal Aminoacyl-tRNA Synthetase

ACS central science, 2024-05, Vol.10 (5), p.1044-1053

2024

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The Glu102 mutation disrupts higher-order oligomerization of the sigma 1 receptor

Computational and structural biotechnology journal, 2020-01, Vol.18, p.199-206

2020

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The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

PLoS computational biology, 2018-01, Vol.14 (1), p.e1005948-e1005948

2018

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Dynamic extracellular vestibule of human SERT: Unveiling druggable potential with high-affinity allosteric inhibitors

Proceedings of the National Academy of Sciences - PNAS, 2023-10, Vol.120 (41), p.e2304089120-e2304089120

2023

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The LeuT-fold neurotransmitter: sodium symporter MhsT has two substrate sites

Proceedings of the National Academy of Sciences - PNAS, 2018-08, Vol.115 (34), p.E7924-E7931

2018

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Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates

Nature chemistry, 2023-07, Vol.15 (7), p.913

2023

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Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (38), p.20406-20410

2014

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Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics

Neuropharmacology, 2019-12, Vol.161, p.107411-107411, Article 107411

2019

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Translating the atypical dopamine uptake inhibitor hypothesis toward therapeutics for treatment of psychostimulant use disorders

Neuropsychopharmacology (New York, N.Y.), 2019-07, Vol.44 (8), p.1435-1444

2019

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Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models

Journal of chemical information and modeling, 2018-06, Vol.58 (6), p.1244-1252

2018

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An ab-initio study of pyrrole and imidazole arylamides

Journal of the Serbian Chemical Society, 2013, Vol.78 (11), p.1789-1795

2013

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Incorporation of Multiple β 2 -Hydroxy Acids into a Protein In Vivo Using an Orthogonal Aminoacyl-tRNA Synthetase

ACS central science, 2024-05, Vol.10 (5), p.1044-1053

2024

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The Isomeric Preference of an Atypical Dopamine Transporter Inhibitor Contributes to Its Selection of the Transporter Conformation

ACS chemical neuroscience, 2017-08, Vol.8 (8), p.1735-1746

2017

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Structure–Activity Relationship Studies on a Series of 3α-[Bis(4-fluorophenyl)methoxy]tropanes and 3α-[Bis(4-fluorophenyl)methylamino]tropanes As Novel Atypical Dopamine Transporter (DAT) Inhibitors for the Treatment of Cocaine Use Disorders

Journal of medicinal chemistry, 2017-12, Vol.60 (24), p.10172-10187

2017

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The action of a negative allosteric modulator at the dopamine D2 receptor is dependent upon sodium ions

Scientific reports, 2018-01, Vol.8 (1), p.1-12, Article 1208

2018

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Inside Cover: Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers (Chem. Eur. J. 15/2017)

Chemistry : a European journal, 2017-03, Vol.23 (15), p.3500-3500

2017

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A Novel Bromine-Containing Paroxetine Analogue Provides Mechanistic Clues for Binding Ambiguity at the Central Primary Binding Site of the Serotonin Transporter

ACS chemical neuroscience, 2019-09, Vol.10 (9), p.3946-3952

2019

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Exploring Ligand-Binding Kinetics in the S2 Site of MhsT by Atomistic Simulations and Markov Models

Biophysical journal, 2017-02, Vol.112 (3), p.127a-127a

2017

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Helical arylamide foldamers: structure prediction by molecular dynamics simulations

New journal of chemistry, 2015-01, Vol.39 (5), p.3229-3240

2015

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High-potency ligands for DREADD imaging and activation in rodents and monkeys

Identification of a putative binding site critical for general anesthetic activation of TRPA1

The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter

Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanism

Pharmacological profiling of sigma 1 receptor ligands by novel receptor homomer assays

Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers

Incorporation of Multiple β2‑Hydroxy Acids into a Protein In Vivo Using an Orthogonal Aminoacyl-tRNA Synthetase

The Glu102 mutation disrupts higher-order oligomerization of the sigma 1 receptor

The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

Dynamic extracellular vestibule of human SERT: Unveiling druggable potential with high-affinity allosteric inhibitors

The LeuT-fold neurotransmitter: sodium symporter MhsT has two substrate sites

Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates

Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers

Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics

Translating the atypical dopamine uptake inhibitor hypothesis toward therapeutics for treatment of psychostimulant use disorders

Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models

An ab-initio study of pyrrole and imidazole arylamides

Incorporation of Multiple β 2 -Hydroxy Acids into a Protein In Vivo Using an Orthogonal Aminoacyl-tRNA Synthetase

The Isomeric Preference of an Atypical Dopamine Transporter Inhibitor Contributes to Its Selection of the Transporter Conformation

Structure–Activity Relationship Studies on a Series of 3α-[Bis(4-fluorophenyl)methoxy]tropanes and 3α-[Bis(4-fluorophenyl)methylamino]tropanes As Novel Atypical Dopamine Transporter (DAT) Inhibitors for the Treatment of Cocaine Use Disorders

The action of a negative allosteric modulator at the dopamine D2 receptor is dependent upon sodium ions

Inside Cover: Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers (Chem. Eur. J. 15/2017)

A Novel Bromine-Containing Paroxetine Analogue Provides Mechanistic Clues for Binding Ambiguity at the Central Primary Binding Site of the Serotonin Transporter

Exploring Ligand-Binding Kinetics in the S2 Site of MhsT by Atomistic Simulations and Markov Models

Helical arylamide foldamers: structure prediction by molecular dynamics simulations

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