Olujide Oludayo Olubiyi

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Questions related from Olujide Oludayo Olubiyi

Can you recommend a molecular dynamics (MD) code to simulate a system containing 300 million atoms?

I plan to use MD simulation to study a macromolecular system containing more than 300 million atoms after solvation. I am aware that large systems of up to a few million atoms have been...

15 July 2021 3,791 3 View

To what extent is computational chemistry (and modelling in general) currently being applied in drug discovery?

With recent development in computational modelling algorithms and computing power, one can only fairly expect a translation of these into increasing use in drug discovery efforts. But, is this...

17 November 2012 5,015 9 View