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February 2016 |
[19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors
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Mapping the Binding Site Pocket of the Serotonin 5-Hydroxytryptamine 2A Receptor: Ser 3.36(159) PROVIDES A SECOND INTERACTION SITE FOR THE PROTONATED AMINE OF SEROTONIN BUT NOT OF LYSERGIC ACID DIETHYLAMIDE OR BUFOTENIN
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June 1996 |
Biased signalling: from simple switches to allosteric microprocessors
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January 2018 |
Crystal Structure of an LSD-Bound Human Serotonin Receptor
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January 2017 |
Scalable molecular dynamics with NAMD
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January 2005 |
Big Data: A Survey
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January 2014 |
Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP 2 -Regulated Dynamics of the N-Terminus
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August 2015 |
Millisecond-scale molecular dynamics simulations on Anton
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conference
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January 2009 |
New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies
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journal
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May 2006 |
Crystal Structure of an LSD-Bound Human Serotonin Receptor
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text
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January 2017 |
Angiotensin Analogs with Divergent Bias Stabilize Distinct Receptor Conformations
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journal
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January 2019 |
High-Performance Data Analysis on the Big Trajectory Data of Cellular Scale All-atom Molecular Dynamics Simulations
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journal
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June 2018 |
Related Contribution of Specific Helix 2 and 7 Residues to Conformational Activation of the Serotonin 5-HT 2A Receptor
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journal
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July 1995 |
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
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November 2012 |
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
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journal
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January 2009 |
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
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journal
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July 2012 |
ZINC: A Free Tool to Discover Chemistry for Biology
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journal
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June 2012 |
Molecular Interaction of Serotonin 5-HT 2A Receptor Residues Phe339 (6.51) and Phe340 (6.52) with Superpotent N -Benzyl Phenethylamine Agonists
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journal
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September 2006 |
Rapid parameterization of small molecules using the force field toolkit
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journal
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September 2013 |
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
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journal
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November 2012 |
Densely Connected Convolutional Networks
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preprint
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January 2016 |
Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist
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journal
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November 2010 |
Big data: Distilling meaning from data
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journal
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September 2008 |
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
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journal
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March 2013 |
Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone
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January 2018 |
Structure-Function of the G Protein–Coupled Receptor Superfamily
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journal
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January 2013 |
Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects
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journal
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January 2006 |
ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
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May 2009 |
Mechanism of NMDA Receptor Channel Block by MK-801 and Memantine
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journal
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February 2018 |
Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties
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journal
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April 2012 |
The Mechanism of a Neurotransmitter:Sodium Symporter—Inward Release of Na+ and Substrate Is Triggered by Substrate in a Second Binding Site
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journal
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June 2008 |
5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology
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journal
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February 2018 |
Densely Connected Convolutional Networks
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conference
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July 2017 |
CHARMM-GUI: A web-based graphical user interface for CHARMM
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journal
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March 2008 |
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
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journal
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October 2006 |
Use of an Induced Fit Receptor Structure in Virtual Screening
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journal
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January 2006 |
Molecular Dynamics Simulation for All
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journal
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September 2018 |
The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY.
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journalarticle
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January 2018 |
Mechanism of NMDA receptor channel block by MK-801 and memantine
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journal
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April 2018 |
NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT
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journal
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May 2014 |
Lifting the lid on GPCRs: the role of extracellular loops: GPCR extracellular loops
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February 2012 |
Revised Pharmacophore Model for 5-HT 2A Receptor Antagonists Derived from the Atypical Antipsychotic Agent Risperidone
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January 2019 |
Hallucinogen actions on 5-HT receptors reveal distinct mechanisms of activation and signaling by G protein-coupled receptors
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December 2005 |
Selectivity determinants of GPCR–G-protein binding
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May 2017 |
Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists
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June 2014 |
A Functional Selectivity Mechanism at the Serotonin-2A GPCR Involves Ligand-Dependent Conformations of Intracellular Loop 2
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October 2014 |
Molecular signatures of G-protein-coupled receptors
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journal
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February 2013 |
Functional Selectivity and Classical Concepts of Quantitative Pharmacology
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journal
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June 2006 |
Millisecond-scale molecular dynamics simulations on Anton
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conference
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January 2009 |
The ensemble nature of allostery
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April 2014 |
Human aminolevulinate synthase structure reveals a eukaryotic-specific autoinhibitory loop regulating substrate binding and product release
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journal
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June 2020 |
The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY
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journal
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November 2017 |
Structural basis for Na + -sensitivity in dopamine D2 and D3 receptors
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January 2015 |
Effector Pathway-Dependent Relative Efficacy at Serotonin Type 2A and 2C Receptors: Evidence for Agonist-Directed Trafficking of Receptor Stimulus
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July 1998 |
A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter
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January 2017 |
The effect of acidic pH on the adsorption and lytic activity of the peptides Polybia-MP1 and its histidine-containing analog in anionic lipid membrane: a biophysical study by molecular dynamics and spectroscopy
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journal
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April 2021 |
EGFRisopred: a machine learning-based classification model for identifying isoform-specific inhibitors against EGFR and HER2
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August 2021 |
Site-directed mutagenesis of the human dopamine D2 receptor
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October 1992 |
A novel specific PERK activator reduces toxicity and extends survival in Huntington's disease models
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April 2020 |
DSNet for Real-Time Driving Scene Semantic Segmentation
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January 2018 |