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Functional selectivity of dopamine D1 receptor agonists in regulating the fate of internalized receptorsFirst principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.Selectivity and specificity of substrate binding in methionyl-tRNA synthetase.The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals.Computational method to identify druggable binding sites that target protein-protein interactions.Folding of small proteins using constrained molecular dynamicsStructure refinement of protein low resolution models using the GNEIMO constrained dynamics method.Advanced techniques for constrained internal coordinate molecular dynamics.Human breast cancer metastases to the brain display GABAergic properties in the neural niche.Role of specific cations and water entropy on the stability of branched DNA motif structures.Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment.HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors.Differences in allosteric communication pipelines in the inactive and active states of a GPCR.Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen.Structure-based design of mutant Methanococcus jannaschii tyrosyl-tRNA synthetase for incorporation of O-methyl-L-tyrosinePrediction of structure and function of G protein-coupled receptorsAtomic-level simulations of seeman DNA nanostructures: the paranemic crossover in salt solution.Rapid Computational Prediction of Thermostabilizing Mutations for G Protein-Coupled Receptors.Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1.Alkylation of cysteine 468 in Stat3 defines a novel site for therapeutic developmentN-linked glycosylation of protease-activated receptor-1 at extracellular loop 2 regulates G-protein signaling biasReceptor conformations involved in dopamine D(2L) receptor functional selectivity induced by selected transmembrane-5 serine mutations.Structural dynamics and thermostabilization of neurotensin receptor 1Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding siteHow Can Mutations Thermostabilize G-Protein-Coupled Receptors?Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation.Mapping conformational dynamics of proteins using torsional dynamics simulations.Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists.Thermostabilization of the β1-adrenergic receptor correlates with increased entropy of the inactive state.The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists.Structure and dynamics of a constitutively active neurotensin receptor.Conserved Mechanism of Conformational Stability and Dynamics in G-Protein-Coupled Receptors.Dynamic behavior of the active and inactive states of the adenosine A(2A) receptor.The role of conformational ensembles of seven transmembrane receptors in functional selectivity.Multiscale computational methods for mapping conformational ensembles of G-protein-coupled receptors.LITiCon: a discrete conformational sampling computational method for mapping various functionally selective conformational states of transmembrane helical proteins.Structure and dynamics of G-protein coupled receptors.5-Formyluracil-induced perturbations of DNA function.Interaction of E. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells.
P50
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P50
name
Nagarajan Vaidehi
@en
type
label
Nagarajan Vaidehi
@en
prefLabel
Nagarajan Vaidehi
@en