Tag: Modellings

MODELLER usage for Homology Modelling: Tutorial with codes in 5 simple steps ??? Part 1

In simple words, let's say you have a protein molecule "A" that is a newly found protein, or it is a protein that is difficult to purify ( proteins are super-duper tough to purify, ufff I wish they weren't ), then we try finding a similar protein molecule to this molecule...

Introduction to Molecular Modelling: Part 9 (Partial Charges)

In chemistry, there are ions and neutral molecules. Ions have a total positive or negative charge, while neutral molecules are often polar. The polarity is due to the differences in electronegativities of different elements. For ionic molecules the formal charge is often drawn on one atom — pe...