Molecular dynamics (MD) data for "Structural Basis of Efficacy-Driven Ligand Selectivity at GPCRs" published Nature Chemical Biology 2023. See the included readme.txt for more details. Please cite the paper if you use these data
G protein-coupled receptors (GPCRs) are implicated in nearly every physiological process in the huma...
This thesis describes the development and analysis of different computational meth- ods that predict...
In computational structure-based drug design, the scoring functions are the cornerstones to the succ...
Molecular dynamics (MD) is the common computational technique for assessing efficacy of GPCR-bound l...
Molecular-dynamics (MD) simulations are playing an increasingly important role in research into the ...
These are the raw MD simulation data (water, ions and lipid removed) entitling the publication of "S...
The primary goal of rational drug discovery is the identification of selective ligands which act on ...
This repository contains the datasets and results supporting the conclusions of the manuscript "3DDP...
G protein-coupled receptors (GPCRs) are a major family of membrane receptors in eukaryotic cells and...
The determination of G protein-coupled receptor (GPCR) structures at atomic resolution has improved ...
Supplementary data of "Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine ...
<p>RMSD value in the last column refers to the average value of ligand during the whole MD simulatio...
The family of G-protein-coupled receptors (GPCRs) contains the largest number of drug targets in the...
Color poster with text, charts, images, tables, and graphs.The presence of G-proteins and G-protein ...
Trajectories of receptor-ligand bound simulation and simulation set-up files of designed cyclic pept...
G protein-coupled receptors (GPCRs) are implicated in nearly every physiological process in the huma...
This thesis describes the development and analysis of different computational meth- ods that predict...
In computational structure-based drug design, the scoring functions are the cornerstones to the succ...
Molecular dynamics (MD) is the common computational technique for assessing efficacy of GPCR-bound l...
Molecular-dynamics (MD) simulations are playing an increasingly important role in research into the ...
These are the raw MD simulation data (water, ions and lipid removed) entitling the publication of "S...
The primary goal of rational drug discovery is the identification of selective ligands which act on ...
This repository contains the datasets and results supporting the conclusions of the manuscript "3DDP...
G protein-coupled receptors (GPCRs) are a major family of membrane receptors in eukaryotic cells and...
The determination of G protein-coupled receptor (GPCR) structures at atomic resolution has improved ...
Supplementary data of "Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine ...
<p>RMSD value in the last column refers to the average value of ligand during the whole MD simulatio...
The family of G-protein-coupled receptors (GPCRs) contains the largest number of drug targets in the...
Color poster with text, charts, images, tables, and graphs.The presence of G-proteins and G-protein ...
Trajectories of receptor-ligand bound simulation and simulation set-up files of designed cyclic pept...
G protein-coupled receptors (GPCRs) are implicated in nearly every physiological process in the huma...
This thesis describes the development and analysis of different computational meth- ods that predict...
In computational structure-based drug design, the scoring functions are the cornerstones to the succ...
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