Corin Wagen · Oct 11, 2024
Are Forcefields Able To Describe Protein Dynamics?
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This post assumes some knowledge of molecular dynamics and forcefields/molecular mechanics. For readers unfamiliar with these topics, Abhishaike Mahajan has a great guide to these topics on his blog. Although forcefields are commonplace in all sorts of biomolecular simulation today, there’s a growing body of evidence showing that they often give unreliable results. For instance, here’s Geoff…
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