Phase Space Invaders (ψ)
Phase Space Invaders (ψ)
Miłosz Wieczór
Episode 19 - Alex MacKerell: Simple physics, missing experimental data, and model compatibility
26 minutes Posted Sep 10, 2024 at 8:00 am.
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Send us a textIn episode 19, Alex and I discuss the history and future of developments in the CHARMM family of force fields, and whether Alex believes there is more physics that we need to include in our classical energy functions to work around our current challenges in biomolecular modeling. Throughout the conversation, he's advocated for a pragmatic, down-to-earth approach, with the idea of "big molecules, small physics". Alex also highlights the need to augment AI tools with HI, or human ...