|Constructing computational model of a molecule|
To computationally construct the molecules from different atoms to use it for further research like drug designing etc.
|Introducing Hydrogen atoms to a molecule|
To add hydrogen atoms so as to balance the bonds to make the molecule stable.
|Dihedral angle calculation of a molecule|
To calculate the dihedral angle of a molecule
|Energy minimization of a molecule |
To construct a molecule whose energy is minimized so as to attain a stable conformation
|Predict the structure of protein-Homology Modeling|
Predicting the structure of a protein molecule using Homology modeling.
To check for the drug receptor interaction using docking studies
|Absorption and Distribution Property Prediction in Drug Designing Process|
To calculate the absorption and distribution rate of a drug
|Toxicity prediction of a Molecule |
To predict the toxicity of drug molecule using insilico approaches
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