Fiona M. McRobb
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View article: Discovery of a Novel Class of <scp>d</scp> -Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform
Discovery of a Novel Class of <span>d</span> -Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform Open
d-Serine is a coagonist of the N-methyl d-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, d-serine is synthesized from its l-isomer by serine racemase and is metabolized by the D-amino acid oxida…
View article: Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform
Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform Open
D-Serine is a co-agonist of the N-methyl D-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, D-Serine is synthesized from its L-isomer by serine racemase and is metabolized by the D-amino acid oxidase (DA…
View article: Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform
Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform Open
D-Serine is a co-agonist of the N-methyl D-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, D-Serine is synthesized from its L-isomer by serine racemase and is metabolized by the D-amino acid oxidase (DA…
View article: Retraction Note: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors
Retraction Note: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors Open
View article: Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design
Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design Open
View article: Studies of g protein-coupled receptor structure and function: Receptor modeling and synthesis of bivalent ligands
Studies of g protein-coupled receptor structure and function: Receptor modeling and synthesis of bivalent ligands Open
G protein-coupled receptors (GPCRs) are therapeutically significant proteins and are targeted by over 25% of FDA approved drugs. GPCRs are highly druggable and are involved in a diverse range of disease states and, as such, are of immense …
View article: RETRACTED ARTICLE: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors
RETRACTED ARTICLE: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors Open
View article: Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation
Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation Open
The rapid growth of structural information for G-protein-coupled receptors (GPCRs) has led to a greater understanding of their structure, function, selectivity, and ligand binding. Although novel ligands have been identified using methods …