Lista de obras -

2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR.

artículo científico publicado en 2010

2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling

artículo científico publicado en 2010

3D structural homology detection via unassigned residual dipolar couplings.

artículo científico publicado en 2003

A maximum entropy algorithm for rhythmic analysis of genome-wide expression patterns

artículo científico publicado en 2002

A minimal ligand binding pocket within a network of correlated mutations identified by multiple sequence and structural analysis of G protein coupled receptors ⬇️

artículo científico publicado el 29 de junio de 2012

A polynomial-time nuclear vector replacement algorithm for automated NMR resonance assignments

artículo científico publicado en 2004

A β-arrestin-2-dependent mechanism of GPR52 signalling in frontal cortical neurons

artículo científico publicado en 2020

Accounting for conformational entropy in predicting binding free energies of protein-protein interactions

artículo científico publicado en 2011

Acetylcholine Muscarinic M4 Receptors as a Therapeutic Target for Alcohol Use Disorder: Converging Evidence From Humans and Rodents

artículo científico publicado en 2020

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

artículo científico publicado en 2011

Allosteric agonists of 7TM receptors: expanding the pharmacological toolbox

artículo científico publicado en 2006

An expectation/maximization nuclear vector replacement algorithm for automated NMR resonance assignments

artículo científico publicado en 2004

An online approach for mining collective behaviors from molecular dynamics simulations

artículo científico publicado en 2010

Angiopoietin-2, a regulator of vascular permeability in inflammation, is associated with persistent organ failure in patients with acute pancreatitis from the United States and Germany

artículo científico publicado en 2010

Automated parameter estimation for biological models using Bayesian statistical model checking

artículo científico publicado en 2015

Binding kinetics differentiates functional antagonism of orexin‐2 receptor ligands ⬇️

artículo científico publicado el 1 de enero de 2014

Bitopic Binding Mode of an M1 Muscarinic Acetylcholine Receptor Agonist Associated with Adverse Clinical Trial Outcomes.

artículo científico publicado en 2018

Characterisation of the binding of [3H]-SB-674042, a novel nonpeptide antagonist, to the human orexin-1 receptor

artículo científico publicado en 2004

Comparative genotypic and phenotypic analysis of human peripheral blood monocytes and surrogate monocyte-like cell lines commonly used in metabolic disease research.

artículo científico publicado en 2018

Comparison of existing clinical scoring systems to predict persistent organ failure in patients with acute pancreatitis.

artículo científico publicado en 2012

Contrasting effects of allosteric and orthosteric agonists on m1 muscarinic acetylcholine receptor internalization and down-regulation

artículo científico publicado en 2009

Crystal structure of the M5 muscarinic acetylcholine receptor

scientific article published on 26 November 2019

Determining Allosteric Modulator Mechanism of Action: Integration of Radioligand Binding and Functional Assay Data ⬇️

artículo científico publicado el 1 de enero de 2011

Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists

artículo científico publicado en 2020

Discovering Conformational Sub-States Relevant to Protein Function ⬇️

artículo científico publicado el 28 de enero de 2011

Discovering rare behaviours in stochastic differential equations using decision procedures: applications to a minimal cell cycle model

artículo científico publicado en 2014

Discovery and Optimization of Potent and CNS Penetrant M5-Preferring Positive Allosteric Modulators Derived from a Novel, Chiral N-(Indanyl)piperidine Amide Scaffold

artículo científico publicado en 2018

Discovery of 1,2,4-Triazine Derivatives as Adenosine A 2A Antagonists using Structure Based Drug Design

artículo científico publicado en 2012

Divergent effects of strontium and calcium-sensing receptor positive allosteric modulators (calcimimetics) on human osteoclast activity.

artículo científico publicado en 2018

Drug-receptor kinetics and sigma-1 receptor affinity differentiate clinically evaluated histamine H receptor antagonists

article

Dynamic allostery governs cyclophilin A-HIV capsid interplay

artículo científico publicado en 2015

Efficient modeling and active learning discovery of biological responses

artículo científico publicado en 2013

Evaluation of expression and function of the H+/myo-inositol transporter HMIT

artículo científico publicado en 2009

Exploring behaviors of stochastic differential equation models of biological systems using change of measures

artículo científico publicado en 2012

Free energy estimates of all-atom protein structures using generalized belief propagation

artículo científico publicado en 2008

From orphans to orexins: an arousing fifteen years.

artículo científico publicado en 2013

Functional and structural perspectives on allosteric modulation of GPCRs.

artículo científico

G Protein-Coupled Receptors Targeting Insulin Resistance, Obesity, and Type 2 Diabetes Mellitus.

artículo científico publicado en 2018

G protein coupling and signaling pathway activation by m1 muscarinic acetylcholine receptor orthosteric and allosteric agonists.

artículo científico publicado en 2008

G protein-coupled receptors as anabolic drug targets in osteoporosis

artículo científico publicado en 2017

Generative models of conformational dynamics

artículo científico publicado en 2014

Growth hormone secretagogues and growth hormone releasing peptides act as orthosteric super-agonists but not allosteric regulators for activation of the G protein Galpha(o1) by the Ghrelin receptor

artículo científico publicado en 2009

HIV-1 Capsid Function is Regulated by Dynamics: Quantitative Atomic-Resolution Insights by Integrating Magic-Angle-Spinning NMR, QM/MM, and MD.

artículo científico publicado en 2016

High throughput, quantitative analysis of human osteoclast differentiation and activity

artículo científico publicado en 2016

High-throughput 3D structural homology detection via NMR resonance assignment.

artículo científico publicado en 2004

Identification of novel adenosine A(2A) receptor antagonists by virtual screening.

artículo científico publicado en 2012

In the loop: extra-striatal regulation of spiny projection neurons by GPR52

artículo científico publicado en 2020

In vitro and in vivo comparison of two non-peptide tachykinin NK3 receptor antagonists: Improvements in efficacy achieved through enhanced brain penetration or altered pharmacological characteristics

artículo científico publicado en 2009

International Union of Basic and Clinical Pharmacology. XC. multisite pharmacology: recommendations for the nomenclature of receptor allosterism and allosteric ligands.

artículo científico publicado en 2014

Isoform-Specific Biased Agonism of Histamine H3 Receptor Agonists

artículo científico publicado en 2016

Label-Free Kinetics: Exploiting Functional Hemi-Equilibrium to Derive Rate Constants for Muscarinic Receptor Antagonists

artículo científico publicado en 2015

Learning Sequence Determinants of Protein:protein Interaction Specificity with Sparse Graphical Models

artículo científico publicado en 2014

Learning generative models for protein fold families ⬇️

artículo científico publicado el 25 de enero de 2011

Learning generative models of molecular dynamics

artículo científico publicado en 2012

Learning sequence determinants of protein:protein interaction specificity with sparse graphical models

artículo científico publicado en 2015

Ligand properties and behaviours in an allosteric age ⬇️

artículo científico publicado el 27 de septiembre de 2012

Matching models to data: a receptor pharmacologist's guide ⬇️

artículo científico publicado el 1 de noviembre de 2010

Molecular Mechanisms of Action of M5 Muscarinic Acetylcholine Receptor Allosteric Modulators

artículo científico publicado en 2016

Molecular pharmacology of GPCRs

article

Monoclonal anti-β1-adrenergic receptor antibodies activate G protein signaling in the absence of β-arrestin recruitment

scientific article published on January 2014

Murine GPRC6A Mediates Cellular Responses to L-Amino Acids, but Not Osteocalcin Variants

artículo científico publicado en 2016

Muscarinic M5 receptors modulate ethanol seeking in rats

artículo científico publicado en 2018

Muscarinic acetylcholine receptors as CNS drug targets

artículo científico publicado en 2007

Mutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptors

artículo científico publicado en 2008

N-desmethylclozapine (NDMC) is an antagonist at the human native muscarinic M(1) receptor.

artículo científico publicado en 2010

Negative allosteric modulators of the human calcium-sensing receptor bind to overlapping and distinct sites within the 7-transmembrane domain

artículo científico publicado en 2020

Neurochemical changes in LPA1 receptor deficient mice--a putative model of schizophrenia

artículo científico publicado en 2005

Neurochemical evaluation of the novel 5-HT1A receptor partial agonist/serotonin reuptake inhibitor, vilazodone.

artículo científico publicado en 2005

New Advances in Targeting the Resolution of Inflammation: Implications for Specialized Pro-Resolving Mediator GPCR Drug Discovery

scientific article published on 20 January 2020

Novel N-Substituted Benzimidazolones as Potent, Selective, CNS-Penetrant, and Orally Active M1 mAChR Agonists

artículo científico publicado en 2010

On-the-Fly Identification of Conformational Substates from Molecular Dynamics Simulations

artículo científico publicado en 2011

Orthosteric and allosteric modes of interaction of novel selective agonists of the M1 muscarinic acetylcholine receptor

artículo científico publicado en 2010

Parameter discovery in stochastic biological models using simulated annealing and statistical model checking

artículo científico publicado en 2014

Parameter synthesis in nonlinear dynamical systems: application to systems biology

artículo científico publicado en 2010

Performance of mouse neural stem cells as a screening reagent: characterization of PAC1 activity in medium-throughput functional assays

artículo científico publicado en 2009

Pharmacology and structure of isolated conformations of the adenosine A₂A receptor define ligand efficacy

artículo científico publicado en 2013

Phase-independent rhythmic analysis of genome-wide expression patterns

artículo científico publicado en 2003

Positive Allosteric Modulation of the Muscarinic M1 Receptor Improves Efficacy of Antipsychotics in Mouse Glutamatergic Deficit Models of Behavior

artículo científico publicado en 2016

Probing the molecular mechanism of interaction between 4-n-butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]-piperidine (AC-42) and the muscarinic M(1) receptor: direct pharmacological evidence that AC-42 is an allosteric agonist

artículo científico publicado en 2005

Progress in structure based drug design for G protein-coupled receptors

artículo científico publicado en 2011

Quantitative analysis reveals multiple mechanisms of allosteric modulation of the mGlu5 receptor in rat astroglia

artículo científico publicado en 2011

Regulation of calcitonin gene-related peptide release from rat trigeminal nucleus caudalis slices in vitro

artículo científico publicado en 2004

Roof and floor of the muscarinic binding pocket: variations in the binding modes of orthosteric ligands

artículo científico publicado en 2007

SB-616234-A (1-[6-(cis-3,5-dimethylpiperazin-1-yl)-2,3-dihydro-5-methoxyindol-1-yl]-1-[2'methyl-4'-(5-methyl-1,2,3-oxadiazol-3-yl)biphenyl-4-yl]methanone hydrochloride): a novel, potent and selective 5-HT1B receptor antagonist

scientific journal article

SB-649915, a novel, potent 5-HT1A and 5-HT1B autoreceptor antagonist and 5-HT re-uptake inhibitor in native tissue.

artículo científico publicado en 2006

Screening for positive allosteric modulators: assessment of modulator concentration-response curves as a screening paradigm

artículo científico publicado en 2007

Serum Biomarker Panels for the Detection of Pancreatic Cancer ⬇️

artículo científico publicado el 15 de febrero de 2011

Serum biomarker profiles as diagnostic tools in lung cancer

artículo científico publicado en 2011

Structure-Activity Relationships of Pan-Gα Coupled Muscarinic Acetylcholine Receptor Positive Allosteric Modulators

Structure-based development of a subtype-selective orexin 1 receptor antagonist

artículo científico publicado en 2020

Structure-function studies of allosteric agonism at M2 muscarinic acetylcholine receptors

artículo científico publicado en 2007

Supra-physiological efficacy at GPCRs: superstition or super agonists?

artículo científico publicado en 2013

Symbolic approaches for finding control strategies in Boolean Networks

artículo científico publicado en 2009

Synthesis of insulin pump controllers from safety specifications using Bayesian model validation

artículo científico publicado el 1 de enero de 2012

Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins

artículo científico publicado en 2017

The Marker State Space (MSS) Method for Classifying Clinical Samples ⬇️

artículo científico publicado el 4 de junio de 2013

The importance of sex differences in pharmacology research

artículo científico publicado en 2019

The muscarinic M(4) receptor is the functionally predominant subtype in rat and mouse striatum as demonstrated using [(35)S] GTPγS binding

artículo científico publicado en 2010

The properties of thermostabilised G protein-coupled receptors (StaRs) and their use in drug discovery.

artículo científico publicado en 2010

The use of GPCR structures in drug design.

artículo científico

Translation-Focused Approaches to GPCR Drug Discovery for Cognitive Impairments Associated with Schizophrenia

artículo científico publicado en 2020

Using optical markers of nondysplastic rectal epithelial cells to identify patients with ulcerative colitis-associated neoplasia ⬇️

artículo científico publicado el 23 de febrero de 2011

Lista de obras de

2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR.

2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling

3D structural homology detection via unassigned residual dipolar couplings.

A maximum entropy algorithm for rhythmic analysis of genome-wide expression patterns

A minimal ligand binding pocket within a network of correlated mutations identified by multiple sequence and structural analysis of G protein coupled receptors ⬇️

A polynomial-time nuclear vector replacement algorithm for automated NMR resonance assignments

A β-arrestin-2-dependent mechanism of GPR52 signalling in frontal cortical neurons

Accounting for conformational entropy in predicting binding free energies of protein-protein interactions

Acetylcholine Muscarinic M4 Receptors as a Therapeutic Target for Alcohol Use Disorder: Converging Evidence From Humans and Rodents

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

Allosteric agonists of 7TM receptors: expanding the pharmacological toolbox

An expectation/maximization nuclear vector replacement algorithm for automated NMR resonance assignments

An online approach for mining collective behaviors from molecular dynamics simulations

Angiopoietin-2, a regulator of vascular permeability in inflammation, is associated with persistent organ failure in patients with acute pancreatitis from the United States and Germany

Automated parameter estimation for biological models using Bayesian statistical model checking

Binding kinetics differentiates functional antagonism of orexin‐2 receptor ligands ⬇️

Bitopic Binding Mode of an M1 Muscarinic Acetylcholine Receptor Agonist Associated with Adverse Clinical Trial Outcomes.

Characterisation of the binding of [3H]-SB-674042, a novel nonpeptide antagonist, to the human orexin-1 receptor

Comparative genotypic and phenotypic analysis of human peripheral blood monocytes and surrogate monocyte-like cell lines commonly used in metabolic disease research.

Comparison of existing clinical scoring systems to predict persistent organ failure in patients with acute pancreatitis.

Contrasting effects of allosteric and orthosteric agonists on m1 muscarinic acetylcholine receptor internalization and down-regulation

Crystal structure of the M5 muscarinic acetylcholine receptor

Determining Allosteric Modulator Mechanism of Action: Integration of Radioligand Binding and Functional Assay Data ⬇️

Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists

Discovering Conformational Sub-States Relevant to Protein Function ⬇️

Discovering rare behaviours in stochastic differential equations using decision procedures: applications to a minimal cell cycle model

Discovery and Optimization of Potent and CNS Penetrant M5-Preferring Positive Allosteric Modulators Derived from a Novel, Chiral N-(Indanyl)piperidine Amide Scaffold

Discovery of 1,2,4-Triazine Derivatives as Adenosine A 2A Antagonists using Structure Based Drug Design

Divergent effects of strontium and calcium-sensing receptor positive allosteric modulators (calcimimetics) on human osteoclast activity.

Drug-receptor kinetics and sigma-1 receptor affinity differentiate clinically evaluated histamine H receptor antagonists

Dynamic allostery governs cyclophilin A-HIV capsid interplay

Efficient modeling and active learning discovery of biological responses

Evaluation of expression and function of the H+/myo-inositol transporter HMIT

Exploring behaviors of stochastic differential equation models of biological systems using change of measures

Free energy estimates of all-atom protein structures using generalized belief propagation

From orphans to orexins: an arousing fifteen years.

Functional and structural perspectives on allosteric modulation of GPCRs.

G Protein-Coupled Receptors Targeting Insulin Resistance, Obesity, and Type 2 Diabetes Mellitus.

G protein coupling and signaling pathway activation by m1 muscarinic acetylcholine receptor orthosteric and allosteric agonists.

G protein-coupled receptors as anabolic drug targets in osteoporosis

Generative models of conformational dynamics

Growth hormone secretagogues and growth hormone releasing peptides act as orthosteric super-agonists but not allosteric regulators for activation of the G protein Galpha(o1) by the Ghrelin receptor

HIV-1 Capsid Function is Regulated by Dynamics: Quantitative Atomic-Resolution Insights by Integrating Magic-Angle-Spinning NMR, QM/MM, and MD.

High throughput, quantitative analysis of human osteoclast differentiation and activity

High-throughput 3D structural homology detection via NMR resonance assignment.

Identification of novel adenosine A(2A) receptor antagonists by virtual screening.

In the loop: extra-striatal regulation of spiny projection neurons by GPR52

In vitro and in vivo comparison of two non-peptide tachykinin NK3 receptor antagonists: Improvements in efficacy achieved through enhanced brain penetration or altered pharmacological characteristics

International Union of Basic and Clinical Pharmacology. XC. multisite pharmacology: recommendations for the nomenclature of receptor allosterism and allosteric ligands.

Isoform-Specific Biased Agonism of Histamine H3 Receptor Agonists

Label-Free Kinetics: Exploiting Functional Hemi-Equilibrium to Derive Rate Constants for Muscarinic Receptor Antagonists

Learning Sequence Determinants of Protein:protein Interaction Specificity with Sparse Graphical Models

Learning generative models for protein fold families ⬇️

Learning generative models of molecular dynamics

Learning sequence determinants of protein:protein interaction specificity with sparse graphical models

Ligand properties and behaviours in an allosteric age ⬇️

Matching models to data: a receptor pharmacologist's guide ⬇️

Molecular Mechanisms of Action of M5 Muscarinic Acetylcholine Receptor Allosteric Modulators

Molecular pharmacology of GPCRs

Monoclonal anti-β1-adrenergic receptor antibodies activate G protein signaling in the absence of β-arrestin recruitment

Murine GPRC6A Mediates Cellular Responses to L-Amino Acids, but Not Osteocalcin Variants

Muscarinic M5 receptors modulate ethanol seeking in rats

Muscarinic acetylcholine receptors as CNS drug targets

Mutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptors

N-desmethylclozapine (NDMC) is an antagonist at the human native muscarinic M(1) receptor.

Negative allosteric modulators of the human calcium-sensing receptor bind to overlapping and distinct sites within the 7-transmembrane domain

Neurochemical changes in LPA1 receptor deficient mice--a putative model of schizophrenia

Neurochemical evaluation of the novel 5-HT1A receptor partial agonist/serotonin reuptake inhibitor, vilazodone.

New Advances in Targeting the Resolution of Inflammation: Implications for Specialized Pro-Resolving Mediator GPCR Drug Discovery

Novel N-Substituted Benzimidazolones as Potent, Selective, CNS-Penetrant, and Orally Active M1 mAChR Agonists

On-the-Fly Identification of Conformational Substates from Molecular Dynamics Simulations

Orthosteric and allosteric modes of interaction of novel selective agonists of the M1 muscarinic acetylcholine receptor

Parameter discovery in stochastic biological models using simulated annealing and statistical model checking

Parameter synthesis in nonlinear dynamical systems: application to systems biology

Performance of mouse neural stem cells as a screening reagent: characterization of PAC1 activity in medium-throughput functional assays

Pharmacology and structure of isolated conformations of the adenosine A₂A receptor define ligand efficacy

Phase-independent rhythmic analysis of genome-wide expression patterns

Positive Allosteric Modulation of the Muscarinic M1 Receptor Improves Efficacy of Antipsychotics in Mouse Glutamatergic Deficit Models of Behavior

Probing the molecular mechanism of interaction between 4-n-butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]-piperidine (AC-42) and the muscarinic M(1) receptor: direct pharmacological evidence that AC-42 is an allosteric agonist