C. Langmead

Publications222
h-index41
Citations6,706
Highly Influential Citations354
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Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation
TLDR
Two crystal structures of the thermostabilized human adenosine A2A receptor bound to its endogenous agonistAdenosine and the synthetic agonist NECA are presented, indicating that the contraction of the ligand-binding pocket caused by the inward motion of helices 3, 5 and 7 may be a common feature in the activation of all GPCRs.
Learning generative models for protein fold families
TLDR
A new approach to learning statistical models from multiple sequence alignments (MSA) of proteins, called GREMLIN (Generative REgularized ModeLs of proteINs), learns an undirected probabilistic graphical model of the amino acid composition within the MSA, which encodes both the position‐specific conservation statistics and the correlated mutation statistics between sequential and long‐range pairs of residues.
Muscarinic acetylcholine receptors as CNS drug targets.
A Bayesian Approach to Model Checking Biological Systems
TLDR
This work presents the first algorithm for performing statistical Model Checking using Bayesian Sequential Hypothesis Testing, and shows that this Bayesian approach outperforms current statistical Model checking techniques, which rely on tests from Classical statistics, by requiring fewer system simulations.
Discovery of 1,2,4-Triazine Derivatives as Adenosine A2A Antagonists using Structure Based Drug Design
TLDR
In vivo pharmacokinetic and efficacy data for compound 4k are presented, demonstrating the potential of this series of compounds for the treatment of Parkinson’s disease.
Characterisation of the binding of [3H]‐SB‐674042, a novel nonpeptide antagonist, to the human orexin‐1 receptor
TLDR
Calcium mobilisation studies showed that SB‐334867, SB‐408124 and SB‐410220 are all functional antagonists of the OX1 receptor, with potencies in line with their affinities, as measured in the radioligand binding assays, and with approximately 50‐fold selectivity over the orexin‐2 receptor.
Serum Biomarker Panels for the Detection of Pancreatic Cancer
TLDR
The PDAC-specific biomarker panels identified in this investigation warrant additional clinical validation to determine their role in screening targeted high-risk populations.
An expectation/maximization nuclear vector replacement algorithm for automated NMR resonance assignments
TLDR
The algorithm performs Nuclear Vector Replacement by Expectation/Maximization to compute assignments for high-throughput NMR resonance assignment for a protein of known structure, or of an homologous structure, achieves an average assignment accuracy of over 99%.
International Union of Basic and Clinical Pharmacology. XC. Multisite Pharmacology: Recommendations for the Nomenclature of Receptor Allosterism and Allosteric Ligands
TLDR
An overview of allostery as applied to receptor families and approaches for detecting and validating allosteric interactions is presented and recommendations for the nomenclature ofAllosteric ligands and their properties are given.
Progress in Structure Based Drug Design for G Protein-Coupled Receptors
TLDR
Much current research is now engaged in using this new body of structural information for hit identification and drug design purposes, and the state of the art of both structures and the impact they are now having on structure based drug design (SBDD) for GPCR targets are reviewed.
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