Simulations assisted by Quantum computers are the future. They could provide highly accurate and fast solutions to problems considered intractable for most powerful classical computers.
Computation has a way of finding its use in every field, and drug discovery isn’t exempt from it, especially when we are time-bound.
We have been trained to be adaptive to our environment in our daily life. Same for chemists to train computers to model atoms. Let’s look at how chemists make functions adaptive to different situations!
Computational chemistry is much more than computers and chemistry! Let’s have a brief tour in the world of computational chemistry!