Add to ORKGA pseudoreceptor combines structure-based and ligand-based techniques to represent a unifying concept for both receptor mapping and ligand matching. In this molecular modeling approach, there are opportunities to construct the pseudoreceptor models using a set of small molecules. To build a reliable pseudoreceptor model, we need a set of ligand molecules with known affinity (biological activity) to generate 3D bioactive conformation for each of these ligand molecules. Several software packages are available to generate a pseudoreceptor model and this can provide an entry point for structure based drug discovery in cases where receptor structure information is not available. In this review, we presented the concept of pseudoreceptor, as well...
In the present review we summarize recent work, aimed at a better understanding of the interactions ...
In the search for new drugs, it often occurs that the binding affinities of several compounds to a c...
The problem of incorporating protein flexibility in the routine in silico screening of large databas...
Quantitative Structure-Activity Relationship (QSAR) methods are a commonly used tool in the drug dis...
There is a renewed interest in pseudoreceptor models which enable computational chemists to bridge t...
The chemical structures of sweet compounds are very different, ranging from sugars to amino acids an...
A selective pseudoreceptor models for the inhibitors at GABA receptors of fly and rat were built via...
The proper understanding of biomolecular recognition mechanisms that take place in a drug target is ...
Since benzodiazepines have been used widely in the treatment of anxiety, sleeplessness, and epilepsy...
This review will focus on the construction, refinement, and validation of G Protein-coupled receptor...
To address the problems associated with molecular conformations and alignments in the 3D-QSAR studie...
Structure-based virtual screening for selecting potential drug candidates is usually challenged by h...
The key objectives of computational structure-based drug design include the prediction of the protei...
We present a combined computational study aimed at identifying the three-dimensional structural prop...
In structure-based design of phospholipase A, inhibitors, comparative molecular field analysis is pe...
In the present review we summarize recent work, aimed at a better understanding of the interactions ...
In the search for new drugs, it often occurs that the binding affinities of several compounds to a c...
The problem of incorporating protein flexibility in the routine in silico screening of large databas...
Quantitative Structure-Activity Relationship (QSAR) methods are a commonly used tool in the drug dis...
There is a renewed interest in pseudoreceptor models which enable computational chemists to bridge t...
The chemical structures of sweet compounds are very different, ranging from sugars to amino acids an...
A selective pseudoreceptor models for the inhibitors at GABA receptors of fly and rat were built via...
The proper understanding of biomolecular recognition mechanisms that take place in a drug target is ...
Since benzodiazepines have been used widely in the treatment of anxiety, sleeplessness, and epilepsy...
This review will focus on the construction, refinement, and validation of G Protein-coupled receptor...
To address the problems associated with molecular conformations and alignments in the 3D-QSAR studie...
Structure-based virtual screening for selecting potential drug candidates is usually challenged by h...
The key objectives of computational structure-based drug design include the prediction of the protei...
We present a combined computational study aimed at identifying the three-dimensional structural prop...
In structure-based design of phospholipase A, inhibitors, comparative molecular field analysis is pe...
In the present review we summarize recent work, aimed at a better understanding of the interactions ...
In the search for new drugs, it often occurs that the binding affinities of several compounds to a c...
The problem of incorporating protein flexibility in the routine in silico screening of large databas...